(1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C21H24N2 — CID 1355755

IUPAC(1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@@H](C)c1ccccc1
InChIInChI=1S/C21H24N2/c1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-13,15,20,22-23H,6,9-10H2,1-2H3/t15-,20+/m0/s1
InChIKeyKCWLEYXMVGFASS-MGPUTAFESA-N
MW304.44 g/mol
LogP5.20
Rot. Bonds3

About (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

(1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 1355755) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name(1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID1355755
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name(1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@@H](C)c1ccccc1
InChIInChI=1S/C21H24N2/c1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-13,15,20,22-23H,6,9-10H2,1-2H3/t15-,20+/m0/s1
InChIKeyKCWLEYXMVGFASS-MGPUTAFESA-N
XLogP5.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.20
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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Frequently Asked Questions

What is the IUPAC name of (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 1355755) is (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@@H](C)c1ccccc1.
What is the InChIKey of (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is KCWLEYXMVGFASS-MGPUTAFESA-N. The full InChI is InChI=1S/C21H24N2/c1-14-11-12-19-18(13-14)17-9-6-10-20(21(17)23-19)22-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-13,15,20,22-23H,6,9-10H2,1-2H3/t15-,20+/m0/s1.
What are the key properties of (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
(1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 304.44 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-methyl-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 1355755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).