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

C14H13ClF2N2O — CID 79891927

IUPAC1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2ccncc2Cl)c(F)c1
InChIInChI=1S/C14H13ClF2N2O/c1-18-6-9-4-12(16)14(13(17)5-9)20-8-10-2-3-19-7-11(10)15/h2-5,7,18H,6,8H2,1H3
InChIKeyPJPNDQQHUDYTBW-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.31
Rot. Bonds5

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

1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 79891927) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID79891927
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2ccncc2Cl)c(F)c1
InChIInChI=1S/C14H13ClF2N2O/c1-18-6-9-4-12(16)14(13(17)5-9)20-8-10-2-3-19-7-11(10)15/h2-5,7,18H,6,8H2,1H3
InChIKeyPJPNDQQHUDYTBW-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 106861886
4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912389
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837
N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107742115
N-[[4-[(3-chloro-4-pyridinyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686953
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640440
1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741801
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (CID 79891927) is 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine is CNCc1cc(F)c(OCc2ccncc2Cl)c(F)c1.
What is the InChIKey of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is PJPNDQQHUDYTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c1-18-6-9-4-12(16)14(13(17)5-9)20-8-10-2-3-19-7-11(10)15/h2-5,7,18H,6,8H2,1H3.
What are the key properties of 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 298.72 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 79891927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).