N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine

C19H17FN2O — CID 54583834

IUPACN-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine
SMILESCOc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C19H17FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-17(13-21-12-15)22-11-14-5-3-2-4-6-14/h2-10,12-13,22H,11H2,1H3
InChIKeySRJASQFQGYABJR-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.51
Rot. Bonds5

About N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine

N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine (PubChem CID 54583834) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine
PubChem CID54583834
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine
SMILESCOc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C19H17FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-17(13-21-12-15)22-11-14-5-3-2-4-6-14/h2-10,12-13,22H,11H2,1H3
InChIKeySRJASQFQGYABJR-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine?
The IUPAC name of N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine (CID 54583834) is N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine.
What is the SMILES notation for N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine?
The canonical SMILES for N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine is COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine?
The InChIKey is SRJASQFQGYABJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-17(13-21-12-15)22-11-14-5-3-2-4-6-14/h2-10,12-13,22H,11H2,1H3.
What are the key properties of N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine?
N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine has a molecular weight of 308.36 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-fluoro-2-methoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 54583834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).