[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol

C14H21BrN2O — CID 117012414

IUPAC[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2CCC(CO)(N(C)C)C2)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-11-4-5-12(8-13(11)15)17-7-6-14(9-17,10-18)16(2)3/h4-5,8,18H,6-7,9-10H2,1-3H3
InChIKeyYLRNWFWDTGPXCH-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.26
Rot. Bonds3

About [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol

[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol (PubChem CID 117012414) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
PubChem CID117012414
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2CCC(CO)(N(C)C)C2)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-11-4-5-12(8-13(11)15)17-7-6-14(9-17,10-18)16(2)3/h4-5,8,18H,6-7,9-10H2,1-3H3
InChIKeyYLRNWFWDTGPXCH-UHFFFAOYSA-N
XLogP2.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-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

[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012425
[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012064
[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012396
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012693
4-amino-1-(3-bromo-4-methylphenyl)piperidine-4-carbonitrile
CID 117013082
[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012409
[4-amino-1-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 117012104
4-(3-bromo-4-methylphenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103702

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol (CID 117012414) is [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol is Cc1ccc(N2CCC(CO)(N(C)C)C2)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The InChIKey is YLRNWFWDTGPXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-4-5-12(8-13(11)15)17-7-6-14(9-17,10-18)16(2)3/h4-5,8,18H,6-7,9-10H2,1-3H3.
What are the key properties of [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol has a molecular weight of 313.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).