2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline

C14H21BrN2 — CID 82972417

IUPAC2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
SMILESCC(N)c1cc(Br)ccc1N(C)C1CCCC1
InChIInChI=1S/C14H21BrN2/c1-10(16)13-9-11(15)7-8-14(13)17(2)12-5-3-4-6-12/h7-10,12H,3-6,16H2,1-2H3
InChIKeyPOFVZZLPQZYHMI-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.85
Rot. Bonds3

About 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline

2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline (PubChem CID 82972417) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
PubChem CID82972417
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
SMILESCC(N)c1cc(Br)ccc1N(C)C1CCCC1
InChIInChI=1S/C14H21BrN2/c1-10(16)13-9-11(15)7-8-14(13)17(2)12-5-3-4-6-12/h7-10,12H,3-6,16H2,1-2H3
InChIKeyPOFVZZLPQZYHMI-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline 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-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
CID 114890449
1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
CID 82969824
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 82972442
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?
The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline (CID 82972417) is 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?
The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline is CC(N)c1cc(Br)ccc1N(C)C1CCCC1.
What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?
The InChIKey is POFVZZLPQZYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(16)13-9-11(15)7-8-14(13)17(2)12-5-3-4-6-12/h7-10,12H,3-6,16H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline is sourced from PubChem (CID 82972417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).