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

C11H14BrN — CID 94558337

IUPAC1-[(1R,2S)-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+/m0/s1
InChIKeyROLXHRUBVTTXBY-GXSJLCMTSA-N
MW240.14 g/mol
LogP2.77
Rot. Bonds3

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

1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558337) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558337
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-[(1R,2S)-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+/m0/s1
InChIKeyROLXHRUBVTTXBY-GXSJLCMTSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine (CID 94558337) is 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine is CNC[C@@H]1C[C@@H]1c1cccc(Br)c1.
What is the InChIKey of 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is ROLXHRUBVTTXBY-GXSJLCMTSA-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+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine?
1-[(1R,2S)-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-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).