1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol

C15H16ClF2NO3 — CID 111468690

IUPAC1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CNCc1ccc(OC(F)F)c(Cl)c1)c1ccco1
InChIInChI=1S/C15H16ClF2NO3/c1-15(20,13-3-2-6-21-13)9-19-8-10-4-5-12(11(16)7-10)22-14(17)18/h2-7,14,19-20H,8-9H2,1H3
InChIKeyUKMHVNABTFKJRL-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.53
Rot. Bonds7

About 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol

1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol (PubChem CID 111468690) has the molecular formula C15H16ClF2NO3 and a molecular weight of 331.75 g/mol. Its IUPAC name is 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol
PubChem CID111468690
Molecular FormulaC15H16ClF2NO3
Molecular Weight331.75 g/mol
Exact Mass331.08
IUPAC Name1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CNCc1ccc(OC(F)F)c(Cl)c1)c1ccco1
InChIInChI=1S/C15H16ClF2NO3/c1-15(20,13-3-2-6-21-13)9-19-8-10-4-5-12(11(16)7-10)22-14(17)18/h2-7,14,19-20H,8-9H2,1H3
InChIKeyUKMHVNABTFKJRL-UHFFFAOYSA-N
XLogP3.53
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468776
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468736
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
CID 111468727
(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol
CID 97232870
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
CID 62058897
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol
CID 66169814

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol (CID 111468690) is 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol is CC(O)(CNCc1ccc(OC(F)F)c(Cl)c1)c1ccco1.
What is the InChIKey of 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
The InChIKey is UKMHVNABTFKJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NO3/c1-15(20,13-3-2-6-21-13)9-19-8-10-4-5-12(11(16)7-10)22-14(17)18/h2-7,14,19-20H,8-9H2,1H3.
What are the key properties of 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol has a molecular weight of 331.75 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 111468690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).