3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol

C17H19ClFNO — CID 62629130

IUPAC3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCN(CCC(O)c1cccc(F)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-20(12-13-4-2-6-15(18)10-13)9-8-17(21)14-5-3-7-16(19)11-14/h2-7,10-11,17,21H,8-9,12H2,1H3
InChIKeyXINTWBRHGGYUIG-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.03
Rot. Bonds6

About 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol

3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol (PubChem CID 62629130) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
PubChem CID62629130
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCN(CCC(O)c1cccc(F)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-20(12-13-4-2-6-15(18)10-13)9-8-17(21)14-5-3-7-16(19)11-14/h2-7,10-11,17,21H,8-9,12H2,1H3
InChIKeyXINTWBRHGGYUIG-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
3-[(3-chlorophenyl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83110765
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
CID 62624570
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
CID 111487359

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol (CID 62629130) is 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol is CN(CCC(O)c1cccc(F)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is XINTWBRHGGYUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-20(12-13-4-2-6-15(18)10-13)9-8-17(21)14-5-3-7-16(19)11-14/h2-7,10-11,17,21H,8-9,12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol?
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 307.80 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62629130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).