5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine

C20H17ClF2N2O — CID 140545391

IUPAC5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cc2ccc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C20H17ClF2N2O/c1-24-19-8-6-14(12-25-19)9-13-5-7-18(26-20(22)23)17(10-13)15-3-2-4-16(21)11-15/h2-8,10-12,20H,9H2,1H3,(H,24,25)
InChIKeyGTICZLAKNLVSKA-UHFFFAOYSA-N
MW374.82 g/mol
LogP5.64
Rot. Bonds6

About 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine

5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine (PubChem CID 140545391) has the molecular formula C20H17ClF2N2O and a molecular weight of 374.82 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
PubChem CID140545391
Molecular FormulaC20H17ClF2N2O
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cc2ccc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C20H17ClF2N2O/c1-24-19-8-6-14(12-25-19)9-13-5-7-18(26-20(22)23)17(10-13)15-3-2-4-16(21)11-15/h2-8,10-12,20H,9H2,1H3,(H,24,25)
InChIKeyGTICZLAKNLVSKA-UHFFFAOYSA-N
XLogP5.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 86304918
[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate
CID 141248603
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
3-bromo-4-(difluoromethoxy)benzaldehyde;3-bromo-4-hydroxybenzaldehyde;4-(bromomethyl)-2-(3-chlorophenyl)-1-(difluoromethoxy)benzene;3-(3-chlorophenyl)-4-(difluoromethoxy)benzaldehyde;[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methanol;5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine
CID 160626725
3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
CID 90415611
6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
CID 150659230
4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
CID 58020299
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
CID 70228503
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine (CID 140545391) is 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine is CNc1ccc(Cc2ccc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine?
The InChIKey is GTICZLAKNLVSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O/c1-24-19-8-6-14(12-25-19)9-13-5-7-18(26-20(22)23)17(10-13)15-3-2-4-16(21)11-15/h2-8,10-12,20H,9H2,1H3,(H,24,25).
What are the key properties of 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine?
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine has a molecular weight of 374.82 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 140545391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).