(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium

C20H22FN2+ — CID 6943815

IUPAC(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2/c1-13-5-10-18-17(11-13)16-3-2-4-19(20(16)23-18)22-12-14-6-8-15(21)9-7-14/h5-11,19,22-23H,2-4,12H2,1H3/p+1/t19-/m0/s1
InChIKeyPSRWWQVARJZAIO-IBGZPJMESA-O
MW309.41 g/mol
LogP3.76
Rot. Bonds3

About (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium

(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium (PubChem CID 6943815) has the molecular formula C20H22FN2+ and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
PubChem CID6943815
Molecular FormulaC20H22FN2+
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2/c1-13-5-10-18-17(11-13)16-3-2-4-19(20(16)23-18)22-12-14-6-8-15(21)9-7-14/h5-11,19,22-23H,2-4,12H2,1H3/p+1/t19-/m0/s1
InChIKeyPSRWWQVARJZAIO-IBGZPJMESA-O
XLogP3.76
TPSA32.40 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)methyl-[(1R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
CID 7047389
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 59014653
dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium
CID 2004357
cyclohexyl-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)azanium
CID 4105832
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344
1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 90484169
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121
(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-ol
CID 2849427
1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone
CID 171357712
6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157259926

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
The IUPAC name of (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium (CID 6943815) is (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium.
What is the SMILES notation for (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
The canonical SMILES for (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium is Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
The InChIKey is PSRWWQVARJZAIO-IBGZPJMESA-O. The full InChI is InChI=1S/C20H21FN2/c1-13-5-10-18-17(11-13)16-3-2-4-19(20(16)23-18)22-12-14-6-8-15(21)9-7-14/h5-11,19,22-23H,2-4,12H2,1H3/p+1/t19-/m0/s1.
What are the key properties of (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium has a molecular weight of 309.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium is sourced from PubChem (CID 6943815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).