N-[(3-bromophenyl)methyl]pentan-2-amine

C12H18BrN — CID 43177710

IUPACN-[(3-bromophenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-3-5-10(2)14-9-11-6-4-7-12(13)8-11/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyVHFJNBFPZRMINB-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.73
Rot. Bonds5

About N-[(3-bromophenyl)methyl]pentan-2-amine

N-[(3-bromophenyl)methyl]pentan-2-amine (PubChem CID 43177710) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]pentan-2-amine
PubChem CID43177710
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC NameN-[(3-bromophenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-3-5-10(2)14-9-11-6-4-7-12(13)8-11/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyVHFJNBFPZRMINB-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromophenyl)methyl]pentan-2-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-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]pentan-2-amine
CID 170384359
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63454056
N-[(3-bromophenyl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353947
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 43179524
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
N-[(4-bromo-3-nitrophenyl)methyl]pentan-2-amine
CID 43223072

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]pentan-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]pentan-2-amine (CID 43177710) is N-[(3-bromophenyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]pentan-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]pentan-2-amine is CCCC(C)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]pentan-2-amine?
The InChIKey is VHFJNBFPZRMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-5-10(2)14-9-11-6-4-7-12(13)8-11/h4,6-8,10,14H,3,5,9H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]pentan-2-amine?
N-[(3-bromophenyl)methyl]pentan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]pentan-2-amine is sourced from PubChem (CID 43177710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).