2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

C16H25BrN2 — CID 115210084

IUPAC2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCC(C)(CNCC1CCNCC1)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-16(2,14-5-3-4-6-15(14)17)12-19-11-13-7-9-18-10-8-13/h3-6,13,18-19H,7-12H2,1-2H3
InChIKeyJHJZCYJZCBBTLV-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.32
Rot. Bonds5

About 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 115210084) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID115210084
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCC(C)(CNCC1CCNCC1)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-16(2,14-5-3-4-6-15(14)17)12-19-11-13-7-9-18-10-8-13/h3-6,13,18-19H,7-12H2,1-2H3
InChIKeyJHJZCYJZCBBTLV-UHFFFAOYSA-N
XLogP3.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-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

2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210070
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726
2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 115210021
1-N-[2-(2-bromophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222592
1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257165
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
N-[2-methyl-2-(2-methylphenyl)propyl]piperidin-4-amine
CID 115118569
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161777
2-methyl-2-pyridin-3-yl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 115209149
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (CID 115210084) is 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is CC(C)(CNCC1CCNCC1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is JHJZCYJZCBBTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-16(2,14-5-3-4-6-15(14)17)12-19-11-13-7-9-18-10-8-13/h3-6,13,18-19H,7-12H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 115210084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).