1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine

C11H14BrN — CID 94558340

IUPAC1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-13-7-9-6-11(9)8-3-2-4-10(12)5-8/h2-5,9,11,13H,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyROLXHRUBVTTXBY-KOLCDFICSA-N
MW240.14 g/mol
LogP2.77
Rot. Bonds3

About 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine

1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558340) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558340
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-13-7-9-6-11(9)8-3-2-4-10(12)5-8/h2-5,9,11,13H,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyROLXHRUBVTTXBY-KOLCDFICSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558337
1-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558328
1-[2-(4-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 53275677
1-bromo-3-(2-propylcyclopropyl)benzene
CID 142794167
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[2-[3-(4-fluorophenyl)phenyl]cyclopropyl]-N-methylmethanamine
CID 71207055
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine
CID 90016806
N-methyl-1-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 94558306
N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 89010387

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine (CID 94558340) is 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine is CNC[C@H]1C[C@H]1c1cccc(Br)c1.
What is the InChIKey of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is ROLXHRUBVTTXBY-KOLCDFICSA-N. The full InChI is InChI=1S/C11H14BrN/c1-13-7-9-6-11(9)8-3-2-4-10(12)5-8/h2-5,9,11,13H,6-7H2,1H3/t9-,11+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 240.14 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).