N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine

C16H25BrN2 — CID 115118368

IUPACN-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine
SMILESCc1ccc(Br)cc1C(C)(C)CNC1CCCNC1
InChIInChI=1S/C16H25BrN2/c1-12-6-7-13(17)9-15(12)16(2,3)11-19-14-5-4-8-18-10-14/h6-7,9,14,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyVFDNSIPKRPUHOL-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.38
Rot. Bonds4

About N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine

N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine (PubChem CID 115118368) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine
PubChem CID115118368
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine
SMILESCc1ccc(Br)cc1C(C)(C)CNC1CCCNC1
InChIInChI=1S/C16H25BrN2/c1-12-6-7-13(17)9-15(12)16(2,3)11-19-14-5-4-8-18-10-14/h6-7,9,14,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyVFDNSIPKRPUHOL-UHFFFAOYSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-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-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119164
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
CID 115118379
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118553
2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210512
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
CID 65246088
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
N-[2-methyl-2-(2-methylphenyl)propyl]piperidin-4-amine
CID 115118569
N-(2-ethoxy-2-methylpropyl)piperidin-3-amine
CID 114941103
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118559

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine?
The IUPAC name of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine (CID 115118368) is N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine.
What is the SMILES notation for N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine?
The canonical SMILES for N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine is Cc1ccc(Br)cc1C(C)(C)CNC1CCCNC1.
What is the InChIKey of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine?
The InChIKey is VFDNSIPKRPUHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12-6-7-13(17)9-15(12)16(2,3)11-19-14-5-4-8-18-10-14/h6-7,9,14,18-19H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine?
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine has a molecular weight of 325.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine is sourced from PubChem (CID 115118368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).