1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C17H22N2O — CID 81401623

IUPAC1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-12-8-9-15(17(11-12)20-4)13(2)19-14(3)16-7-5-6-10-18-16/h5-11,13-14,19H,1-4H3/t13?,14-/m0/s1
InChIKeyUAUPBHPZSSWWRM-KZUDCZAMSA-N
MW270.38 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 81401623) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID81401623
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-12-8-9-15(17(11-12)20-4)13(2)19-14(3)16-7-5-6-10-18-16/h5-11,13-14,19H,1-4H3/t13?,14-/m0/s1
InChIKeyUAUPBHPZSSWWRM-KZUDCZAMSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
CID 81402064
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81393339
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613
1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282283
2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
CID 43202107
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 81401623) is 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is COc1cc(C)ccc1C(C)N[C@@H](C)c1ccccn1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is UAUPBHPZSSWWRM-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-8-9-15(17(11-12)20-4)13(2)19-14(3)16-7-5-6-10-18-16/h5-11,13-14,19H,1-4H3/t13?,14-/m0/s1.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 81401623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).