(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C25H24N2 — CID 1381328

IUPAC(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc(CN[C@H]2CCCc3c2[nH]c2ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C25H24N2/c1-3-8-18(9-4-1)17-26-24-13-7-12-21-22-16-20(19-10-5-2-6-11-19)14-15-23(22)27-25(21)24/h1-6,8-11,14-16,24,26-27H,7,12-13,17H2/t24-/m0/s1
InChIKeyJGESULKOTYJLJR-DEOSSOPVSA-N
MW352.48 g/mol
LogP6.00
Rot. Bonds4

About (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 1381328) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID1381328
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc(CN[C@H]2CCCc3c2[nH]c2ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C25H24N2/c1-3-8-18(9-4-1)17-26-24-13-7-12-21-22-16-20(19-10-5-2-6-11-19)14-15-23(22)27-25(21)24/h1-6,8-11,14-16,24,26-27H,7,12-13,17H2/t24-/m0/s1
InChIKeyJGESULKOTYJLJR-DEOSSOPVSA-N
XLogP6.00
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 44583602
N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505542
6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 59014653
[3-[[[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]methyl]phenyl]boronic acid
CID 149228122
N-[(4-bromophenyl)methyl]-6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 139026770
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 11337242
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333601
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 154949452

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 1381328) is (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is c1ccc(CN[C@H]2CCCc3c2[nH]c2ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is JGESULKOTYJLJR-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N2/c1-3-8-18(9-4-1)17-26-24-13-7-12-21-22-16-20(19-10-5-2-6-11-19)14-15-23(22)27-25(21)24/h1-6,8-11,14-16,24,26-27H,7,12-13,17H2/t24-/m0/s1.
What are the key properties of (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 352.48 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 1381328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).