1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine

C15H23BrN2 — CID 107639780

IUPAC1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCc1c(Br)cccc1N1CCCC(NC(C)C)C1
InChIInChI=1S/C15H23BrN2/c1-11(2)17-13-6-5-9-18(10-13)15-8-4-7-14(16)12(15)3/h4,7-8,11,13,17H,5-6,9-10H2,1-3H3
InChIKeyPFKDMKUQKBGHCZ-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine

1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine (PubChem CID 107639780) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine
PubChem CID107639780
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCc1c(Br)cccc1N1CCCC(NC(C)C)C1
InChIInChI=1S/C15H23BrN2/c1-11(2)17-13-6-5-9-18(10-13)15-8-4-7-14(16)12(15)3/h4,7-8,11,13,17H,5-6,9-10H2,1-3H3
InChIKeyPFKDMKUQKBGHCZ-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 81271882
1-(2-methyl-3-pyridinyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79043514
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine
CID 115379191
1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine
CID 107639855
2-(3-bromo-2-methylphenyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107639879
1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine
CID 82819911
1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
CID 107636284
1-(3-bromo-2-methylphenyl)-3-methylpiperidin-4-one
CID 107636204
1-(2,3-dimethyl-1H-indol-4-yl)-N-methylpiperidin-3-amine
CID 151199969
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 104652579

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine (CID 107639780) is 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine is Cc1c(Br)cccc1N1CCCC(NC(C)C)C1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
The InChIKey is PFKDMKUQKBGHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11(2)17-13-6-5-9-18(10-13)15-8-4-7-14(16)12(15)3/h4,7-8,11,13,17H,5-6,9-10H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine has a molecular weight of 311.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 107639780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).