N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride

C43H50Cl2N4 — CID 158296581

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3NC1Cc2ccccc2C1.Cc1ccc2[nH]c3c(c2c1)CCCC3N[C@H](C)c1ccccc1.Cl.Cl
InChIInChI=1S/C22H24N2.C21H24N2.2ClH/c1-14-9-10-20-19(11-14)18-7-4-8-21(22(18)24-20)23-17-12-15-5-2-3-6-16(15)13-17;1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16;;/h2-3,5-6,9-11,17,21,23-24H,4,7-8,12-13H2,1H3;3-5,7-8,11-13,15,20,22-23H,6,9-10H2,1-2H3;2*1H/t;15-,20?;;/m.1../s1
InChIKeyIDIIQJZXVWVJTG-CHSAHXFBSA-N
MW693.81 g/mol
LogP10.66
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride

N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride (PubChem CID 158296581) has the molecular formula C43H50Cl2N4 and a molecular weight of 693.81 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride
PubChem CID158296581
Molecular FormulaC43H50Cl2N4
Molecular Weight693.81 g/mol
Exact Mass692.34
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3NC1Cc2ccccc2C1.Cc1ccc2[nH]c3c(c2c1)CCCC3N[C@H](C)c1ccccc1.Cl.Cl
InChIInChI=1S/C22H24N2.C21H24N2.2ClH/c1-14-9-10-20-19(11-14)18-7-4-8-21(22(18)24-20)23-17-12-15-5-2-3-6-16(15)13-17;1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16;;/h2-3,5-6,9-11,17,21,23-24H,4,7-8,12-13H2,1H3;3-5,7-8,11-13,15,20,22-23H,6,9-10H2,1-2H3;2*1H/t;15-,20?;;/m.1../s1
InChIKeyIDIIQJZXVWVJTG-CHSAHXFBSA-N
XLogP10.66
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 510.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride with MolForge

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Related Compounds

(1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142459025
(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
2-bromo-N-[(1R)-1-phenylethyl]-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 11189322
6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 168953883
6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 143326400
N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11442728
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine;bis(N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine);N-benzyl-5,6,7-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;bis(N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine);N-cyclohexyl-5,6,7-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;bis(N-cyclopentyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine);6-methyl-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 158221445
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505549
1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine
CID 143037835
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11258664

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride (CID 158296581) is N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride is Cc1ccc2[nH]c3c(c2c1)CCCC3NC1Cc2ccccc2C1.Cc1ccc2[nH]c3c(c2c1)CCCC3N[C@H](C)c1ccccc1.Cl.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride?
The InChIKey is IDIIQJZXVWVJTG-CHSAHXFBSA-N. The full InChI is InChI=1S/C22H24N2.C21H24N2.2ClH/c1-14-9-10-20-19(11-14)18-7-4-8-21(22(18)24-20)23-17-12-15-5-2-3-6-16(15)13-17;1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16;;/h2-3,5-6,9-11,17,21,23-24H,4,7-8,12-13H2,1H3;3-5,7-8,11-13,15,20,22-23H,6,9-10H2,1-2H3;2*1H/t;15-,20?;;/m.1../s1.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride?
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride has a molecular weight of 693.81 g/mol, XLogP of 10.66, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride is sourced from PubChem (CID 158296581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).