N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C23H26N2 — CID 176892760

IUPACN-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc2c3c([nH]c2c1)C(NCCc1ccc(C2CC2)cc1)CCC3
InChIInChI=1S/C23H26N2/c1-2-6-21-19(4-1)20-5-3-7-22(23(20)25-21)24-15-14-16-8-10-17(11-9-16)18-12-13-18/h1-2,4,6,8-11,18,22,24-25H,3,5,7,12-15H2
InChIKeyMTFYCXOXNVUWKZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.26
Rot. Bonds5

About N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 176892760) has the molecular formula C23H26N2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID176892760
Molecular FormulaC23H26N2
Molecular Weight330.47 g/mol
Exact Mass330.21
IUPAC NameN-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc2c3c([nH]c2c1)C(NCCc1ccc(C2CC2)cc1)CCC3
InChIInChI=1S/C23H26N2/c1-2-6-21-19(4-1)20-5-3-7-22(23(20)25-21)24-15-14-16-8-10-17(11-9-16)18-12-13-18/h1-2,4,6,8-11,18,22,24-25H,3,5,7,12-15H2
InChIKeyMTFYCXOXNVUWKZ-UHFFFAOYSA-N
XLogP5.26
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
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',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333957
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
6-cyclohexyl-N-[2-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2839198
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
6-cyclohexyl-N-[2-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 2839197

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 176892760) is N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is c1ccc2c3c([nH]c2c1)C(NCCc1ccc(C2CC2)cc1)CCC3.
What is the InChIKey of N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is MTFYCXOXNVUWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-2-6-21-19(4-1)20-5-3-7-22(23(20)25-21)24-15-14-16-8-10-17(11-9-16)18-12-13-18/h1-2,4,6,8-11,18,22,24-25H,3,5,7,12-15H2.
What are the key properties of N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 330.47 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 176892760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).