N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine

C16H25BrN2 — CID 115556593

IUPACN-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(C(C)C)CC2)c(Br)c1
InChIInChI=1S/C16H25BrN2/c1-12(2)19-8-6-15(7-9-19)18-11-14-5-4-13(3)10-16(14)17/h4-5,10,12,15,18H,6-9,11H2,1-3H3
InChIKeyNKCDABIQJDQSEB-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.72
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine

N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 115556593) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID115556593
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(C(C)C)CC2)c(Br)c1
InChIInChI=1S/C16H25BrN2/c1-12(2)19-8-6-15(7-9-19)18-11-14-5-4-13(3)10-16(14)17/h4-5,10,12,15,18H,6-9,11H2,1-3H3
InChIKeyNKCDABIQJDQSEB-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-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-[(2-bromo-4-methylphenyl)methyl]-1-oxothian-4-amine
CID 113479750
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
N-[(2-bromo-4-methylphenyl)methyl]thiolan-3-amine
CID 103845115
N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 114698856
N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115556760
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 82761403
N-[(3-methyl-2-nitrophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 58885086
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 70653063
N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83010449
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine (CID 115556593) is N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine is Cc1ccc(CNC2CCN(C(C)C)CC2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is NKCDABIQJDQSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(2)19-8-6-15(7-9-19)18-11-14-5-4-13(3)10-16(14)17/h4-5,10,12,15,18H,6-9,11H2,1-3H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 115556593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).