N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine

C17H23BrN2 — CID 115352025

IUPACN-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCCn1ccc2c(Br)cccc21
InChIInChI=1S/C17H23BrN2/c1-13-5-2-3-7-16(13)19-10-12-20-11-9-14-15(18)6-4-8-17(14)20/h4,6,8-9,11,13,16,19H,2-3,5,7,10,12H2,1H3
InChIKeyZWNJRPLSQMTJLT-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.57
Rot. Bonds4

About N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine

N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 115352025) has the molecular formula C17H23BrN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID115352025
Molecular FormulaC17H23BrN2
Molecular Weight335.29 g/mol
Exact Mass334.10
IUPAC NameN-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCCn1ccc2c(Br)cccc21
InChIInChI=1S/C17H23BrN2/c1-13-5-2-3-7-16(13)19-10-12-20-11-9-14-15(18)6-4-8-17(14)20/h4,6,8-9,11,13,16,19H,2-3,5,7,10,12H2,1H3
InChIKeyZWNJRPLSQMTJLT-UHFFFAOYSA-N
XLogP4.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-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

3-bromo-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761535
1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile
CID 107916927
2-(4-bromoindol-1-yl)ethanol
CID 66827454
3-(4-bromoindol-1-yl)propan-1-ol
CID 66827430
2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
4-bromo-1-[2-(trifluoromethoxy)ethyl]indole
CID 116626212
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 63504513
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
CID 59436642

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine (CID 115352025) is N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NCCn1ccc2c(Br)cccc21.
What is the InChIKey of N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is ZWNJRPLSQMTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2/c1-13-5-2-3-7-16(13)19-10-12-20-11-9-14-15(18)6-4-8-17(14)20/h4,6,8-9,11,13,16,19H,2-3,5,7,10,12H2,1H3.
What are the key properties of N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine?
N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 335.29 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 115352025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).