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

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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).