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

C23H28N2 — CID 142459025

IUPAC(1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCc1cccc([C@@H](C)N[C@@H]2CCCc3c2[nH]c2ccc(C)cc32)c1
InChIInChI=1S/C23H28N2/c1-4-17-7-5-8-18(14-17)16(3)24-22-10-6-9-19-20-13-15(2)11-12-21(20)25-23(19)22/h5,7-8,11-14,16,22,24-25H,4,6,9-10H2,1-3H3/t16-,22-/m1/s1
InChIKeyZQRZMQUYRZLBMX-OPAMFIHVSA-N
MW332.49 g/mol
LogP5.77
Rot. Bonds4

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

(1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 142459025) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID142459025
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCc1cccc([C@@H](C)N[C@@H]2CCCc3c2[nH]c2ccc(C)cc32)c1
InChIInChI=1S/C23H28N2/c1-4-17-7-5-8-18(14-17)16(3)24-22-10-6-9-19-20-13-15(2)11-12-21(20)25-23(19)22/h5,7-8,11-14,16,22,24-25H,4,6,9-10H2,1-3H3/t16-,22-/m1/s1
InChIKeyZQRZMQUYRZLBMX-OPAMFIHVSA-N
XLogP5.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.77
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)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 142459025) is (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCc1cccc([C@@H](C)N[C@@H]2CCCc3c2[nH]c2ccc(C)cc32)c1.
What is the InChIKey of (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is ZQRZMQUYRZLBMX-OPAMFIHVSA-N. The full InChI is InChI=1S/C23H28N2/c1-4-17-7-5-8-18(14-17)16(3)24-22-10-6-9-19-20-13-15(2)11-12-21(20)25-23(19)22/h5,7-8,11-14,16,22,24-25H,4,6,9-10H2,1-3H3/t16-,22-/m1/s1.
What are the key properties of (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
(1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 332.49 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 142459025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).