[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol

C14H21BrN2O — CID 79319074

IUPAC[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
SMILESCN(CC1CCCN1C)c1cc(Br)ccc1CO
InChIInChI=1S/C14H21BrN2O/c1-16-7-3-4-13(16)9-17(2)14-8-12(15)6-5-11(14)10-18/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3
InChIKeyGICJSKLZZHEIAF-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.47
Rot. Bonds4

About [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol

[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol (PubChem CID 79319074) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
PubChem CID79319074
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
SMILESCN(CC1CCCN1C)c1cc(Br)ccc1CO
InChIInChI=1S/C14H21BrN2O/c1-16-7-3-4-13(16)9-17(2)14-8-12(15)6-5-11(14)10-18/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3
InChIKeyGICJSKLZZHEIAF-UHFFFAOYSA-N
XLogP2.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol with MolForge

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Related Compounds

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 79310953
[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273878
5-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarbothioamide
CID 114891907
(1S)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79319971
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]quinolin-2-yl]methanol
CID 79311164
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319992
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861920
4-amino-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoic acid
CID 79312601
[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol (CID 79319074) is [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol is CN(CC1CCCN1C)c1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol?
The InChIKey is GICJSKLZZHEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16-7-3-4-13(16)9-17(2)14-8-12(15)6-5-11(14)10-18/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol?
[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol has a molecular weight of 313.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 79319074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).