1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine

C12H16BrN — CID 104994251

IUPAC1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)C1CC1
InChIInChI=1S/C12H16BrN/c1-8-7-10(5-6-11(8)13)12(14-2)9-3-4-9/h5-7,9,12,14H,3-4H2,1-2H3
InChIKeyMMJOVCZTFCVMTA-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.43
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine (PubChem CID 104994251) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
PubChem CID104994251
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)C1CC1
InChIInChI=1S/C12H16BrN/c1-8-7-10(5-6-11(8)13)12(14-2)9-3-4-9/h5-7,9,12,14H,3-4H2,1-2H3
InChIKeyMMJOVCZTFCVMTA-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine
CID 115567170
N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104987951
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014289
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988173
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057729
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine (CID 104994251) is 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine is CNC(c1ccc(Br)c(C)c1)C1CC1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is MMJOVCZTFCVMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-7-10(5-6-11(8)13)12(14-2)9-3-4-9/h5-7,9,12,14H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 104994251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).