N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine

C15H24BrN — CID 113287271

IUPACN-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)6-4-5-11-17-13(3)14-7-9-15(16)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3
InChIKeyIWGDKDVPXCCAAG-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.93
Rot. Bonds7

About N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine

N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine (PubChem CID 113287271) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
PubChem CID113287271
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)6-4-5-11-17-13(3)14-7-9-15(16)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3
InChIKeyIWGDKDVPXCCAAG-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-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

5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207
N-[1-(4-bromophenyl)ethyl]hex-5-yn-1-amine
CID 115693970
4-[1-(5-methylhexylamino)ethyl]benzonitrile
CID 79040522
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 104863351
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine (CID 113287271) is N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine is CC(C)CCCCNC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine?
The InChIKey is IWGDKDVPXCCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-12(2)6-4-5-11-17-13(3)14-7-9-15(16)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine?
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.93, 7 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]-5-methylhexan-1-amine is sourced from PubChem (CID 113287271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).