1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

C16H20N2O — CID 54941073

IUPAC1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCOc1ccccc1C(C)NCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-13(15-5-3-4-6-16(15)19-2)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3
InChIKeyDSEGSOWOOGVEGS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.98
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 54941073) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID54941073
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCOc1ccccc1C(C)NCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-13(15-5-3-4-6-16(15)19-2)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3
InChIKeyDSEGSOWOOGVEGS-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 54941073) is 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is COc1ccccc1C(C)NCCc1ccncc1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is DSEGSOWOOGVEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(15-5-3-4-6-16(15)19-2)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 54941073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).