1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol

C11H15ClFNO — CID 112561328

IUPAC1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccc(F)cc1)CC(O)CCl
InChIInChI=1S/C11H15ClFNO/c1-14(8-11(15)6-12)7-9-2-4-10(13)5-3-9/h2-5,11,15H,6-8H2,1H3
InChIKeyFMYLOUYFXCHFJA-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.86
Rot. Bonds5

About 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol

1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol (PubChem CID 112561328) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
PubChem CID112561328
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccc(F)cc1)CC(O)CCl
InChIInChI=1S/C11H15ClFNO/c1-14(8-11(15)6-12)7-9-2-4-10(13)5-3-9/h2-5,11,15H,6-8H2,1H3
InChIKeyFMYLOUYFXCHFJA-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 62266116
1-chloro-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 112561273
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chloropropan-2-ol
CID 112561425
2-(bromomethyl)-N-[(4-fluorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 65015939
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol (CID 112561328) is 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol is CN(Cc1ccc(F)cc1)CC(O)CCl.
What is the InChIKey of 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is FMYLOUYFXCHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-14(8-11(15)6-12)7-9-2-4-10(13)5-3-9/h2-5,11,15H,6-8H2,1H3.
What are the key properties of 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol?
1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 112561328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).