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

C11H13BrClN — CID 115567170

IUPAC1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C11H13BrClN/c1-14-11(7-2-3-7)8-4-5-10(13)9(12)6-8/h4-7,11,14H,2-3H2,1H3
InChIKeyBOLWHBATOIJSPM-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.77
Rot. Bonds3

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

1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine (PubChem CID 115567170) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine
PubChem CID115567170
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C11H13BrClN/c1-14-11(7-2-3-7)8-4-5-10(13)9(12)6-8/h4-7,11,14H,2-3H2,1H3
InChIKeyBOLWHBATOIJSPM-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251
1-(3-bromo-4-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115567141
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104657499
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115567999
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine (CID 115567170) is 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine is CNC(c1ccc(Cl)c(Br)c1)C1CC1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is BOLWHBATOIJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-14-11(7-2-3-7)8-4-5-10(13)9(12)6-8/h4-7,11,14H,2-3H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 274.59 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 115567170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).