N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine

C15H16F2N2O — CID 115605106

IUPACN-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cccnc1OC
InChIInChI=1S/C15H16F2N2O/c1-3-18-14(10-6-7-12(16)13(17)9-10)11-5-4-8-19-15(11)20-2/h4-9,14,18H,3H2,1-2H3
InChIKeyUHFBBLJNQSIUKT-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.07
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine

N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 115605106) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID115605106
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cccnc1OC
InChIInChI=1S/C15H16F2N2O/c1-3-18-14(10-6-7-12(16)13(17)9-10)11-5-4-8-19-15(11)20-2/h4-9,14,18H,3H2,1-2H3
InChIKeyUHFBBLJNQSIUKT-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105145632
N-[(2-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146502
N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105164557
N-[(2-methoxy-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 115605108
N-[(3-chloro-4-methylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 107561571
N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105109075
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
CID 105090915
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
1-(3,5-difluorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142067
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 115605106) is N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1cccnc1OC.
What is the InChIKey of N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is UHFBBLJNQSIUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-18-14(10-6-7-12(16)13(17)9-10)11-5-4-8-19-15(11)20-2/h4-9,14,18H,3H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 278.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115605106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).