N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine

C17H26BrNO — CID 107178004

IUPACN-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1Br)C1CCCC1C
InChIInChI=1S/C17H26BrNO/c1-4-19-17(14-8-6-7-12(14)3)15-10-9-13(20-5-2)11-16(15)18/h9-12,14,17,19H,4-8H2,1-3H3
InChIKeyRVXGNCNOERCCNY-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.93
Rot. Bonds6

About N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107178004) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107178004
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1Br)C1CCCC1C
InChIInChI=1S/C17H26BrNO/c1-4-19-17(14-8-6-7-12(14)3)15-10-9-13(20-5-2)11-16(15)18/h9-12,14,17,19H,4-8H2,1-3H3
InChIKeyRVXGNCNOERCCNY-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine 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-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107189939
N-[(2-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 62905667
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001318
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191388
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
N-[(2-bromo-5-methoxyphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 105154411
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107178004) is N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1Br)C1CCCC1C.
What is the InChIKey of N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is RVXGNCNOERCCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-19-17(14-8-6-7-12(14)3)15-10-9-13(20-5-2)11-16(15)18/h9-12,14,17,19H,4-8H2,1-3H3.
What are the key properties of N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107178004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).