(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride

C20H23ClN2O — CID 70573974

IUPAC(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CC(CN)(c1ccccc1)CC3.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-23-15-7-8-18-16(11-15)17-12-20(13-21,10-9-19(17)22-18)14-5-3-2-4-6-14;/h2-8,11,22H,9-10,12-13,21H2,1H3;1H
InChIKeyPTBUXMDQUHGUOS-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.98
Rot. Bonds3

About (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride

(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride (PubChem CID 70573974) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride
PubChem CID70573974
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CC(CN)(c1ccccc1)CC3.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-23-15-7-8-18-16(11-15)17-12-20(13-21,10-9-19(17)22-18)14-5-3-2-4-6-14;/h2-8,11,22H,9-10,12-13,21H2,1H3;1H
InChIKeyPTBUXMDQUHGUOS-UHFFFAOYSA-N
XLogP3.98
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate
CID 70535381
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-phenylbutan-1-one
CID 42506667
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine
CID 117454052
[6-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 56702975
3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 142668043
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089353
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557
3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 65335189
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
2-(2-bromophenyl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089347

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride (CID 70573974) is (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride is COc1ccc2[nH]c3c(c2c1)CC(CN)(c1ccccc1)CC3.Cl.
What is the InChIKey of (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride?
The InChIKey is PTBUXMDQUHGUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-23-15-7-8-18-16(11-15)17-12-20(13-21,10-9-19(17)22-18)14-5-3-2-4-6-14;/h2-8,11,22H,9-10,12-13,21H2,1H3;1H.
What are the key properties of (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride?
(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 70573974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).