[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol

C15H14ClF2NO2 — CID 111466189

IUPAC[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H14ClF2NO2/c16-13-6-3-11(9-20)7-14(13)19-8-10-1-4-12(5-2-10)21-15(17)18/h1-7,15,19-20H,8-9H2
InChIKeyKTGYEKJOFKCOPH-UHFFFAOYSA-N
MW313.73 g/mol
LogP4.05
Rot. Bonds6

About [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol

[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol (PubChem CID 111466189) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
PubChem CID111466189
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H14ClF2NO2/c16-13-6-3-11(9-20)7-14(13)19-8-10-1-4-12(5-2-10)21-15(17)18/h1-7,15,19-20H,8-9H2
InChIKeyKTGYEKJOFKCOPH-UHFFFAOYSA-N
XLogP4.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
CID 43733617
2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
CID 81264495
N-[(3-bromo-4-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 83235363
[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
CID 111777982
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80524115
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
2-(2,5-dichloroanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 26417029
2-[[4-(difluoromethoxy)phenyl]methylamino]-5-fluoro-4-hydroxybenzoic acid
CID 175176961
2-[[4-(difluoromethoxy)phenyl]methylamino]-5-nitrobenzonitrile
CID 39772483
[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol
CID 111466184
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol?
The IUPAC name of [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol (CID 111466189) is [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol.
What is the SMILES notation for [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol?
The canonical SMILES for [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol is OCc1ccc(Cl)c(NCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol?
The InChIKey is KTGYEKJOFKCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c16-13-6-3-11(9-20)7-14(13)19-8-10-1-4-12(5-2-10)21-15(17)18/h1-7,15,19-20H,8-9H2.
What are the key properties of [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol?
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol has a molecular weight of 313.73 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol is sourced from PubChem (CID 111466189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).