N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine

C13H12F2N2O — CID 112547904

IUPACN-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
SMILESCOc1cccnc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O/c1-18-12-3-2-6-16-13(12)17-8-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyCBCWWPCWMKSSDR-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.98
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine

N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine (PubChem CID 112547904) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
PubChem CID112547904
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
SMILESCOc1cccnc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O/c1-18-12-3-2-6-16-13(12)17-8-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyCBCWWPCWMKSSDR-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
N-[(4-bromophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547909
N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
CID 113371329
N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 62735303
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
3-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 115868201
2-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
N-[(3-fluorophenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 112547893
2-N-[(3,4-difluorophenyl)methyl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004452
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine (CID 112547904) is N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine is COc1cccnc1NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine?
The InChIKey is CBCWWPCWMKSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-18-12-3-2-6-16-13(12)17-8-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine?
N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine is sourced from PubChem (CID 112547904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).