5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine

C16H20N2O — CID 103823979

IUPAC5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine
SMILESCCCOc1ccc(CNc2cncc(C)c2)cc1
InChIInChI=1S/C16H20N2O/c1-3-8-19-16-6-4-14(5-7-16)11-18-15-9-13(2)10-17-12-15/h4-7,9-10,12,18H,3,8,11H2,1-2H3
InChIKeyHQVIZVFGHJLADH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.79
Rot. Bonds6

About 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine

5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine (PubChem CID 103823979) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine
PubChem CID103823979
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine
SMILESCCCOc1ccc(CNc2cncc(C)c2)cc1
InChIInChI=1S/C16H20N2O/c1-3-8-19-16-6-4-14(5-7-16)11-18-15-9-13(2)10-17-12-15/h4-7,9-10,12,18H,3,8,11H2,1-2H3
InChIKeyHQVIZVFGHJLADH-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 113278299
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-bromo-N-[(4-propoxyphenyl)methyl]aniline
CID 29054457
2-ethoxy-4-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 107584887
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
3-chloro-N-[(4-propoxyphenyl)methyl]aniline
CID 29296989
N-[(4-methylsulfanylphenyl)methyl]-4-propoxyaniline
CID 62327458
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]aniline
CID 29041093
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine (CID 103823979) is 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine is CCCOc1ccc(CNc2cncc(C)c2)cc1.
What is the InChIKey of 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is HQVIZVFGHJLADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-8-19-16-6-4-14(5-7-16)11-18-15-9-13(2)10-17-12-15/h4-7,9-10,12,18H,3,8,11H2,1-2H3.
What are the key properties of 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine?
5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 103823979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).