N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine

C15H17FN2O — CID 83075673

IUPACN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
SMILESCOc1cc(C(C)Nc2cnccc2C)ccc1F
InChIInChI=1S/C15H17FN2O/c1-10-6-7-17-9-14(10)18-11(2)12-4-5-13(16)15(8-12)19-3/h4-9,11,18H,1-3H3
InChIKeyBQBMZKFQSITIRK-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine (PubChem CID 83075673) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
PubChem CID83075673
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
SMILESCOc1cc(C(C)Nc2cnccc2C)ccc1F
InChIInChI=1S/C15H17FN2O/c1-10-6-7-17-9-14(10)18-11(2)12-4-5-13(16)15(8-12)19-3/h4-9,11,18H,1-3H3
InChIKeyBQBMZKFQSITIRK-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxypyridin-3-amine
CID 83075504
4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylpyridin-3-amine
CID 63329546
2-bromo-4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83075597
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
3,4,5-trifluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83058996

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine (CID 83075673) is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine is COc1cc(C(C)Nc2cnccc2C)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
The InChIKey is BQBMZKFQSITIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-6-7-17-9-14(10)18-11(2)12-4-5-13(16)15(8-12)19-3/h4-9,11,18H,1-3H3.
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine has a molecular weight of 260.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 83075673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).