1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine

C18H24N2O — CID 60858171

IUPAC1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCc1ccc(C(CC)NCc2cccnc2OC)cc1
InChIInChI=1S/C18H24N2O/c1-4-14-8-10-15(11-9-14)17(5-2)20-13-16-7-6-12-19-18(16)21-3/h6-12,17,20H,4-5,13H2,1-3H3
InChIKeyXWHXAWPFNBZEHV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.89
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine

1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 60858171) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID60858171
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCc1ccc(C(CC)NCc2cccnc2OC)cc1
InChIInChI=1S/C18H24N2O/c1-4-14-8-10-15(11-9-14)17(5-2)20-13-16-7-6-12-19-18(16)21-3/h6-12,17,20H,4-5,13H2,1-3H3
InChIKeyXWHXAWPFNBZEHV-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114871373
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
CID 60857683
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 60858171) is 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is CCc1ccc(C(CC)NCc2cccnc2OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is XWHXAWPFNBZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-14-8-10-15(11-9-14)17(5-2)20-13-16-7-6-12-19-18(16)21-3/h6-12,17,20H,4-5,13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 60858171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).