2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine

C15H24BrN — CID 114013874

IUPAC2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine
SMILESCCCC(C)C(CNC)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-5-12(2)14(11-17-3)10-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyGZYXQFJRLUCAHD-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.26
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine

2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine (PubChem CID 114013874) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine
PubChem CID114013874
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine
SMILESCCCC(C)C(CNC)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-5-12(2)14(11-17-3)10-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyGZYXQFJRLUCAHD-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-3-methyl-N-propylhexan-1-amine
CID 107897173
N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
CID 107897175
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
2-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107897183
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
CID 63560195
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine (CID 114013874) is 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine is CCCC(C)C(CNC)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine?
The InChIKey is GZYXQFJRLUCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-5-12(2)14(11-17-3)10-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine?
2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 114013874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).