N-[1-(4-bromophenyl)ethyl]hexan-3-amine

C14H22BrN — CID 63476564

IUPACN-[1-(4-bromophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN/c1-4-6-14(5-2)16-11(3)12-7-9-13(15)10-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyGBEPNCHDFNMMCI-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.68
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]hexan-3-amine

N-[1-(4-bromophenyl)ethyl]hexan-3-amine (PubChem CID 63476564) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]hexan-3-amine
PubChem CID63476564
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[1-(4-bromophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN/c1-4-6-14(5-2)16-11(3)12-7-9-13(15)10-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyGBEPNCHDFNMMCI-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromophenyl)ethyl]hexan-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-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
CID 55193146
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]pentanenitrile
CID 81360191
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
N-[1-(4-bromophenyl)ethyl]nonan-2-amine
CID 63454622
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 61468699
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
CID 104652938
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]hexan-3-amine (CID 63476564) is N-[1-(4-bromophenyl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]hexan-3-amine is CCCC(CC)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]hexan-3-amine?
The InChIKey is GBEPNCHDFNMMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-6-14(5-2)16-11(3)12-7-9-13(15)10-8-12/h7-11,14,16H,4-6H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]hexan-3-amine?
N-[1-(4-bromophenyl)ethyl]hexan-3-amine has a molecular weight of 284.24 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]hexan-3-amine is sourced from PubChem (CID 63476564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).