1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine

C14H21BrN2 — CID 116951206

IUPAC1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
SMILESCNC(c1cc(Br)ccc1C)C1CCCCN1
InChIInChI=1S/C14H21BrN2/c1-10-6-7-11(15)9-12(10)14(16-2)13-5-3-4-8-17-13/h6-7,9,13-14,16-17H,3-5,8H2,1-2H3
InChIKeyWYQUZAJMDZDPAV-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.16
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine

1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine (PubChem CID 116951206) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
PubChem CID116951206
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
SMILESCNC(c1cc(Br)ccc1C)C1CCCCN1
InChIInChI=1S/C14H21BrN2/c1-10-6-7-11(15)9-12(10)14(16-2)13-5-3-4-8-17-13/h6-7,9,13-14,16-17H,3-5,8H2,1-2H3
InChIKeyWYQUZAJMDZDPAV-UHFFFAOYSA-N
XLogP3.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950946
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951152
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950924
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 114246647
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950896
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951150
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine (CID 116951206) is 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine is CNC(c1cc(Br)ccc1C)C1CCCCN1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The InChIKey is WYQUZAJMDZDPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-6-7-11(15)9-12(10)14(16-2)13-5-3-4-8-17-13/h6-7,9,13-14,16-17H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 116951206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).