2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine

C21H21ClN2O2 — CID 21156761

IUPAC2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
SMILESCOc1cc(CC(N)c2cccnc2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-12-15(11-19(23)17-5-3-9-24-13-17)7-8-20(21)26-14-16-4-2-6-18(22)10-16/h2-10,12-13,19H,11,14,23H2,1H3
InChIKeyLZCUBUCARVPSDG-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.57
Rot. Bonds7

About 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine

2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine (PubChem CID 21156761) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
PubChem CID21156761
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
SMILESCOc1cc(CC(N)c2cccnc2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-12-15(11-19(23)17-5-3-9-24-13-17)7-8-20(21)26-14-16-4-2-6-18(22)10-16/h2-10,12-13,19H,11,14,23H2,1H3
InChIKeyLZCUBUCARVPSDG-UHFFFAOYSA-N
XLogP4.57
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
CID 21148418
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine
CID 21157730
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
CID 63018759
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
2-(3,4-dimethoxyphenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 60924306
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine (CID 21156761) is 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine is COc1cc(CC(N)c2cccnc2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine?
The InChIKey is LZCUBUCARVPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-25-21-12-15(11-19(23)17-5-3-9-24-13-17)7-8-20(21)26-14-16-4-2-6-18(22)10-16/h2-10,12-13,19H,11,14,23H2,1H3.
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine?
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine has a molecular weight of 368.86 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 21156761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).