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

C12H17ClFNO2 — CID 103883811

IUPAC1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO2/c1-15(7-10(16)8-17-2)6-9-3-4-12(14)11(13)5-9/h3-5,10,16H,6-8H2,1-2H3
InChIKeyWACFWRNEUIHVGR-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.92
Rot. Bonds6

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

1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 103883811) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID103883811
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO2/c1-15(7-10(16)8-17-2)6-9-3-4-12(14)11(13)5-9/h3-5,10,16H,6-8H2,1-2H3
InChIKeyWACFWRNEUIHVGR-UHFFFAOYSA-N
XLogP1.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 75484188
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016738
1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62014573
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
1-(3-chloro-4-fluorophenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263220
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
CID 62015149
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
1-[(5-chloro-2-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 79493100
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol (CID 103883811) is 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is WACFWRNEUIHVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c1-15(7-10(16)8-17-2)6-9-3-4-12(14)11(13)5-9/h3-5,10,16H,6-8H2,1-2H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 261.72 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103883811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).