1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine

C16H16ClF2NO — CID 106861886

IUPAC1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2ccc(C)cc2Cl)c(F)c1
InChIInChI=1S/C16H16ClF2NO/c1-10-3-4-12(13(17)5-10)9-21-16-14(18)6-11(8-20-2)7-15(16)19/h3-7,20H,8-9H2,1-2H3
InChIKeyCAZLHECWVYWSBD-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.23
Rot. Bonds5

About 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine

1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 106861886) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID106861886
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2ccc(C)cc2Cl)c(F)c1
InChIInChI=1S/C16H16ClF2NO/c1-10-3-4-12(13(17)5-10)9-21-16-14(18)6-11(8-20-2)7-15(16)19/h3-7,20H,8-9H2,1-2H3
InChIKeyCAZLHECWVYWSBD-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dibromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741724
1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891927
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
[2-[(2-chloro-4-methylphenyl)methoxy]-3-fluorophenyl]methanol
CID 106864412
1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115961108
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483
5-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline
CID 106861452
1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741801

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (CID 106861886) is 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine is CNCc1cc(F)c(OCc2ccc(C)cc2Cl)c(F)c1.
What is the InChIKey of 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is CAZLHECWVYWSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-10-3-4-12(13(17)5-10)9-21-16-14(18)6-11(8-20-2)7-15(16)19/h3-7,20H,8-9H2,1-2H3.
What are the key properties of 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106861886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).