N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine

C15H17ClN2O — CID 106816379

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-3-19-15-14(5-4-8-17-15)18-10-12-7-6-11(2)13(16)9-12/h4-9,18H,3,10H2,1-2H3
InChIKeyVGILPBHFOPMLDX-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.05
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine

N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine (PubChem CID 106816379) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
PubChem CID106816379
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-3-19-15-14(5-4-8-17-15)18-10-12-7-6-11(2)13(16)9-12/h4-9,18H,3,10H2,1-2H3
InChIKeyVGILPBHFOPMLDX-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706361
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66397464
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine (CID 106816379) is N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine is CCOc1ncccc1NCc1ccc(C)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine?
The InChIKey is VGILPBHFOPMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-19-15-14(5-4-8-17-15)18-10-12-7-6-11(2)13(16)9-12/h4-9,18H,3,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine?
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine is sourced from PubChem (CID 106816379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).