(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine

C15H18N2O — CID 28624444

IUPAC(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(14-5-3-4-6-15(14)18-2)17-11-13-7-9-16-10-8-13/h3-10,12,17H,11H2,1-2H3/t12-/m1/s1
InChIKeyGYBWIDGPFFVMDV-GFCCVEGCSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds5

About (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine

(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 28624444) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID28624444
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(14-5-3-4-6-15(14)18-2)17-11-13-7-9-16-10-8-13/h3-10,12,17H,11H2,1-2H3/t12-/m1/s1
InChIKeyGYBWIDGPFFVMDV-GFCCVEGCSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 28624444) is (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine is COc1ccccc1[C@@H](C)NCc1ccncc1.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is GYBWIDGPFFVMDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(14-5-3-4-6-15(14)18-2)17-11-13-7-9-16-10-8-13/h3-10,12,17H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 28624444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).