(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine

C11H14BrN — CID 95365874

IUPAC(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
SMILESC[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C11H14BrN/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h2-5,8,10,13H,6-7H2,1H3/t8-,10-/m1/s1
InChIKeySHAVEQAQWNRALP-PSASIEDQSA-N
MW240.14 g/mol
LogP2.91
Rot. Bonds1

About (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine

(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine (PubChem CID 95365874) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
PubChem CID95365874
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
SMILESC[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C11H14BrN/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h2-5,8,10,13H,6-7H2,1H3/t8-,10-/m1/s1
InChIKeySHAVEQAQWNRALP-PSASIEDQSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine 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

ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960
4-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818817
3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
CID 161066750
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
(2R,5S)-2-methyl-5-phenylpiperidine
CID 95374662
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine
CID 95464743
2-(4-bromophenyl)-6-methyl-1,3-thiazinane
CID 66224229
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777
2-(4-bromophenyl)-4-fluoropyrrolidine
CID 84728357

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine?
The IUPAC name of (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine (CID 95365874) is (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine?
The canonical SMILES for (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine is C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1.
What is the InChIKey of (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine?
The InChIKey is SHAVEQAQWNRALP-PSASIEDQSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h2-5,8,10,13H,6-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine?
(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine is sourced from PubChem (CID 95365874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).