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

C11H14BrN — CID 94558414

IUPAC1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C11H14BrN/c1-13-7-8-6-10(8)9-4-2-3-5-11(9)12/h2-5,8,10,13H,6-7H2,1H3/t8-,10+/m1/s1
InChIKeyASUJGSATSLOOJP-SCZZXKLOSA-N
MW240.14 g/mol
LogP2.77
Rot. Bonds3

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

1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558414) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558414
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C11H14BrN/c1-13-7-8-6-10(8)9-4-2-3-5-11(9)12/h2-5,8,10,13H,6-7H2,1H3/t8-,10+/m1/s1
InChIKeyASUJGSATSLOOJP-SCZZXKLOSA-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,2S)-2-(2-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

2-Bromophenethylamine
CID 2734091
N,N-dimethyl-2-bromophenylethylamine
CID 151465
2-Bromo-N-methylbenzylamine
CID 522360
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44572750
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
rac-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56673910
rac-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56683886
trans-N-Methyl-(2-phenylcyclopropylmethyl)amine
CID 10898996
[2-(2-Bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 16047543
trans-(+/-)-2-(2-Bromo-phenyl)-cyclopropylmethylamine hydrochloride
CID 44572752
N-[2-(3-Bromophenyl)ethyl]-N-methylamine
CID 44578545

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine (CID 94558414) is 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine is CNC[C@H]1C[C@@H]1c1ccccc1Br.
What is the InChIKey of 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is ASUJGSATSLOOJP-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H14BrN/c1-13-7-8-6-10(8)9-4-2-3-5-11(9)12/h2-5,8,10,13H,6-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine?
1-[(1S,2S)-2-(2-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,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).