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

C16H23ClFNO2 — CID 62538630

IUPAC1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
SMILESOC(CNCc1ccc(F)c(Cl)c1)COC1CCCCC1
InChIInChI=1S/C16H23ClFNO2/c17-15-8-12(6-7-16(15)18)9-19-10-13(20)11-21-14-4-2-1-3-5-14/h6-8,13-14,19-20H,1-5,9-11H2
InChIKeyDEHJXWLQTBKRNQ-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.28
Rot. Bonds7

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

1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol (PubChem CID 62538630) has the molecular formula C16H23ClFNO2 and a molecular weight of 315.82 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
PubChem CID62538630
Molecular FormulaC16H23ClFNO2
Molecular Weight315.82 g/mol
Exact Mass315.14
IUPAC Name1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
SMILESOC(CNCc1ccc(F)c(Cl)c1)COC1CCCCC1
InChIInChI=1S/C16H23ClFNO2/c17-15-8-12(6-7-16(15)18)9-19-10-13(20)11-21-14-4-2-1-3-5-14/h6-8,13-14,19-20H,1-5,9-11H2
InChIKeyDEHJXWLQTBKRNQ-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]benzonitrile
CID 60918103
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637
1-[(3-chloro-4-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 113338450
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 103039599
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol (CID 62538630) is 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol is OC(CNCc1ccc(F)c(Cl)c1)COC1CCCCC1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol?
The InChIKey is DEHJXWLQTBKRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO2/c17-15-8-12(6-7-16(15)18)9-19-10-13(20)11-21-14-4-2-1-3-5-14/h6-8,13-14,19-20H,1-5,9-11H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol?
1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol has a molecular weight of 315.82 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol is sourced from PubChem (CID 62538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).