[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol

C16H17ClFNO — CID 106529874

IUPAC[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
SMILESCC(c1cccc(Cl)c1)N(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C16H17ClFNO/c1-11(13-4-3-5-14(17)8-13)19(2)16-7-12(10-20)6-15(18)9-16/h3-9,11,20H,10H2,1-2H3
InChIKeyMPZJMQAZFLILOE-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.17
Rot. Bonds4

About [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol

[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol (PubChem CID 106529874) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
PubChem CID106529874
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
SMILESCC(c1cccc(Cl)c1)N(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C16H17ClFNO/c1-11(13-4-3-5-14(17)8-13)19(2)16-7-12(10-20)6-15(18)9-16/h3-9,11,20H,10H2,1-2H3
InChIKeyMPZJMQAZFLILOE-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-(3-chlorophenyl)ethyl-methylamino]-3,5-difluorophenyl]methanol
CID 63075837
[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
1-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62980389
4-(bromomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 107083095
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456
(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
3-N-[1-(4-chlorophenyl)ethyl]-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 55140660
2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde
CID 63536493
3-bromo-5-[1-(3-chlorophenyl)ethyl-methylamino]benzonitrile
CID 102816302
1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone
CID 79589980
2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzonitrile
CID 63668363

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol?
The IUPAC name of [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol (CID 106529874) is [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol.
What is the SMILES notation for [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol?
The canonical SMILES for [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol is CC(c1cccc(Cl)c1)N(C)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol?
The InChIKey is MPZJMQAZFLILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(13-4-3-5-14(17)8-13)19(2)16-7-12(10-20)6-15(18)9-16/h3-9,11,20H,10H2,1-2H3.
What are the key properties of [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol?
[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol has a molecular weight of 293.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol is sourced from PubChem (CID 106529874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).