N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C16H25BrN2 — CID 104851455

IUPACN-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1cc(Br)cc(CNC(C)CN2CCCCC2)c1
InChIInChI=1S/C16H25BrN2/c1-13-8-15(10-16(17)9-13)11-18-14(2)12-19-6-4-3-5-7-19/h8-10,14,18H,3-7,11-12H2,1-2H3
InChIKeyKSTOKACINSTIEP-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.72
Rot. Bonds5

About N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 104851455) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID104851455
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1cc(Br)cc(CNC(C)CN2CCCCC2)c1
InChIInChI=1S/C16H25BrN2/c1-13-8-15(10-16(17)9-13)11-18-14(2)12-19-6-4-3-5-7-19/h8-10,14,18H,3-7,11-12H2,1-2H3
InChIKeyKSTOKACINSTIEP-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-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-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034
N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 104851456
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
2-N-[(3-bromo-5-methylphenyl)methyl]propane-1,2-diamine
CID 104851447
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 104851455) is N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is Cc1cc(Br)cc(CNC(C)CN2CCCCC2)c1.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is KSTOKACINSTIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13-8-15(10-16(17)9-13)11-18-14(2)12-19-6-4-3-5-7-19/h8-10,14,18H,3-7,11-12H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 325.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 104851455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).