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

C14H21FN2O — CID 63273796

IUPAC[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H21FN2O/c1-16-6-5-12(8-16)9-17(2)14-4-3-11(10-18)7-13(14)15/h3-4,7,12,18H,5-6,8-10H2,1-2H3
InChIKeyUPHHXFSYIRQPJW-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.71
Rot. Bonds4

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

[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol (PubChem CID 63273796) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
PubChem CID63273796
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H21FN2O/c1-16-6-5-12(8-16)9-17(2)14-4-3-11(10-18)7-13(14)15/h3-4,7,12,18H,5-6,8-10H2,1-2H3
InChIKeyUPHHXFSYIRQPJW-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273878
[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 114067493
4-(ethylaminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63273977
5-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63273515
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol (CID 63273796) is [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol is CN1CCC(CN(C)c2ccc(CO)cc2F)C1.
What is the InChIKey of [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The InChIKey is UPHHXFSYIRQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-6-5-12(8-16)9-17(2)14-4-3-11(10-18)7-13(14)15/h3-4,7,12,18H,5-6,8-10H2,1-2H3.
What are the key properties of [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol has a molecular weight of 252.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 63273796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).