N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine

C17H22N2O — CID 106900046

IUPACN-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NCc1ccc(CC)cc1
InChIInChI=1S/C17H22N2O/c1-3-12-20-16-6-5-11-18-17(16)19-13-15-9-7-14(4-2)8-10-15/h5-11H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeySOLXTPFVPYTASH-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.04
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine

N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine (PubChem CID 106900046) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
PubChem CID106900046
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NCc1ccc(CC)cc1
InChIInChI=1S/C17H22N2O/c1-3-12-20-16-6-5-11-18-17(16)19-13-15-9-7-14(4-2)8-10-15/h5-11H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeySOLXTPFVPYTASH-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
N-[(4-ethylphenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106900068
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
N-[(4-bromophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547909
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine (CID 106900046) is N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine is CCCOc1cccnc1NCc1ccc(CC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine?
The InChIKey is SOLXTPFVPYTASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-12-20-16-6-5-11-18-17(16)19-13-15-9-7-14(4-2)8-10-15/h5-11H,3-4,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine?
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine is sourced from PubChem (CID 106900046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).