2-[(4-bromophenyl)methyl]pentan-1-amine

C12H18BrN — CID 62505880

IUPAC2-[(4-bromophenyl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-2-3-11(9-14)8-10-4-6-12(13)7-5-10/h4-7,11H,2-3,8-9,14H2,1H3
InChIKeyWQFJFBBQZHRWFF-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.37
Rot. Bonds5

About 2-[(4-bromophenyl)methyl]pentan-1-amine

2-[(4-bromophenyl)methyl]pentan-1-amine (PubChem CID 62505880) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]pentan-1-amine
PubChem CID62505880
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-[(4-bromophenyl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-2-3-11(9-14)8-10-4-6-12(13)7-5-10/h4-7,11H,2-3,8-9,14H2,1H3
InChIKeyWQFJFBBQZHRWFF-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-4-methylheptan-1-amine
CID 63497937
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
2-[(4-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591387
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
1-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
2-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530373
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
2-[(4-bromophenyl)methyl]hexan-1-ol
CID 66059467
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]pentan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]pentan-1-amine (CID 62505880) is 2-[(4-bromophenyl)methyl]pentan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]pentan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]pentan-1-amine is CCCC(CN)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]pentan-1-amine?
The InChIKey is WQFJFBBQZHRWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-2-3-11(9-14)8-10-4-6-12(13)7-5-10/h4-7,11H,2-3,8-9,14H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]pentan-1-amine?
2-[(4-bromophenyl)methyl]pentan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 62505880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).