[4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol

C13H18BrNO — CID 117270732

IUPAC[4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CC(Cc2ccc(Br)cc2)CN1
InChIInChI=1S/C13H18BrNO/c1-13(9-16)7-11(8-15-13)6-10-2-4-12(14)5-3-10/h2-5,11,15-16H,6-9H2,1H3
InChIKeyQVIFEHLMHAWZLM-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.35
Rot. Bonds3

About [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol

[4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol (PubChem CID 117270732) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol
PubChem CID117270732
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CC(Cc2ccc(Br)cc2)CN1
InChIInChI=1S/C13H18BrNO/c1-13(9-16)7-11(8-15-13)6-10-2-4-12(14)5-3-10/h2-5,11,15-16H,6-9H2,1H3
InChIKeyQVIFEHLMHAWZLM-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol 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

3-[(4-bromophenyl)methyl]azetidine;2,2,2-trifluoroacetic acid
CID 134690756
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
3-[(4-bromophenyl)methyl]cyclobutane-1-carboxylic acid
CID 83663181
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol
CID 117270803
4-[(4-bromophenyl)methyl]-1-methylsulfanylpiperidine
CID 166656776
methyl 4-[(4-bromophenyl)methoxy]-2-methylpyrrolidine-2-carboxylate
CID 21301004
(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 174210894
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 160773433
1-bromo-4-[(3-bromocyclopentyl)methyl]benzene
CID 64509389
4-benzyl-2-(methoxymethyl)-2-methylpiperidine
CID 117258529
4-[(4-bromophenyl)methyl]piperidin-3-ol
CID 115005416

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol (CID 117270732) is [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol is CC1(CO)CC(Cc2ccc(Br)cc2)CN1.
What is the InChIKey of [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol?
The InChIKey is QVIFEHLMHAWZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(9-16)7-11(8-15-13)6-10-2-4-12(14)5-3-10/h2-5,11,15-16H,6-9H2,1H3.
What are the key properties of [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol?
[4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol has a molecular weight of 284.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)methyl]-2-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).