1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine

C15H17ClN2O — CID 82539990

IUPAC1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cncc(-c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-10(17-2)12-6-13(9-18-8-12)11-4-5-15(19-3)14(16)7-11/h4-10,17H,1-3H3
InChIKeyQAUPMZNZBOZQIN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.69
Rot. Bonds4

About 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine

1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine (PubChem CID 82539990) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine
PubChem CID82539990
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cncc(-c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-10(17-2)12-6-13(9-18-8-12)11-4-5-15(19-3)14(16)7-11/h4-10,17H,1-3H3
InChIKeyQAUPMZNZBOZQIN-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
CID 110447484
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
CID 61026051
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
CID 62912252
1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine
CID 112747602
5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
CID 170685631
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
CID 115504108
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine (CID 82539990) is 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine is CNC(C)c1cncc(-c2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine?
The InChIKey is QAUPMZNZBOZQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(17-2)12-6-13(9-18-8-12)11-4-5-15(19-3)14(16)7-11/h4-10,17H,1-3H3.
What are the key properties of 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine?
1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 82539990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).