[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol

C14H21BrN2O — CID 63273878

IUPAC[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2cc(Br)ccc2CO)C1
InChIInChI=1S/C14H21BrN2O/c1-16-6-5-11(8-16)9-17(2)14-7-13(15)4-3-12(14)10-18/h3-4,7,11,18H,5-6,8-10H2,1-2H3
InChIKeySZZKEEDCRDTKRS-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.33
Rot. Bonds4

About [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol

[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol (PubChem CID 63273878) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
PubChem CID63273878
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2cc(Br)ccc2CO)C1
InChIInChI=1S/C14H21BrN2O/c1-16-6-5-11(8-16)9-17(2)14-7-13(15)4-3-12(14)10-18/h3-4,7,11,18H,5-6,8-10H2,1-2H3
InChIKeySZZKEEDCRDTKRS-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol with MolForge

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Related Compounds

[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
CID 79319074
5-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114846672
(1R)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 78941209
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 114067493
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107926216
4-(bromomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107083460
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol (CID 63273878) is [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol is CN1CCC(CN(C)c2cc(Br)ccc2CO)C1.
What is the InChIKey of [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The InChIKey is SZZKEEDCRDTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16-6-5-11(8-16)9-17(2)14-7-13(15)4-3-12(14)10-18/h3-4,7,11,18H,5-6,8-10H2,1-2H3.
What are the key properties of [4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol has a molecular weight of 313.24 g/mol, XLogP of 2.33, 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-3-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 63273878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).