N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine

C14H21BrClN — CID 82774823

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C14H21BrClN/c1-5-14(9(2)3)17-10(4)12-7-6-11(15)8-13(12)16/h6-10,14,17H,5H2,1-4H3
InChIKeyYRPGHTLUPQEAPU-UHFFFAOYSA-N
MW318.69 g/mol
LogP5.19
Rot. Bonds5

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 82774823) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
PubChem CID82774823
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C14H21BrClN/c1-5-14(9(2)3)17-10(4)12-7-6-11(15)8-13(12)16/h6-10,14,17H,5H2,1-4H3
InChIKeyYRPGHTLUPQEAPU-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.69
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-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-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
CID 82774393
N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine
CID 82780847
N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 61468699
1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-3-methylbutanoic acid
CID 82773931
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82774226
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 82774489

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine (CID 82774823) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1ccc(Br)cc1Cl)C(C)C.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is YRPGHTLUPQEAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-5-14(9(2)3)17-10(4)12-7-6-11(15)8-13(12)16/h6-10,14,17H,5H2,1-4H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 318.69 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 82774823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).