N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine

C15H23BrN2 — CID 83010449

IUPACN-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCc1ccc(CNN2C(C)CCCC2C)c(Br)c1
InChIInChI=1S/C15H23BrN2/c1-11-7-8-14(15(16)9-11)10-17-18-12(2)5-4-6-13(18)3/h7-9,12-13,17H,4-6,10H2,1-3H3
InChIKeyBVHLNQXGPJLUCK-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.03
Rot. Bonds3

About N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine

N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83010449) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83010449
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCc1ccc(CNN2C(C)CCCC2C)c(Br)c1
InChIInChI=1S/C15H23BrN2/c1-11-7-8-14(15(16)9-11)10-17-18-12(2)5-4-6-13(18)3/h7-9,12-13,17H,4-6,10H2,1-3H3
InChIKeyBVHLNQXGPJLUCK-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83006518
N-[(2-bromo-4-nitrophenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021877
N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115556760
N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 24896833
N-[(2-bromo-4-methylphenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 115556593
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
N-[(2,5-dimethoxyphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83010248
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83007219
N-[(2-bromo-4-methylphenyl)methyl]-1-oxothian-4-amine
CID 113479750
N-[(2-bromo-4-methylphenyl)methyl]thiolan-3-amine
CID 103845115
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 103881875

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine (CID 83010449) is N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine is Cc1ccc(CNN2C(C)CCCC2C)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is BVHLNQXGPJLUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11-7-8-14(15(16)9-11)10-17-18-12(2)5-4-6-13(18)3/h7-9,12-13,17H,4-6,10H2,1-3H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine?
N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 311.27 g/mol, XLogP of 4.03, 3 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]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83010449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).