1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

C17H21ClN2O — CID 105014462

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Cl)cc2OC)nc1
InChIInChI=1S/C17H21ClN2O/c1-4-12-5-7-14(20-11-12)10-16(19-2)15-8-6-13(18)9-17(15)21-3/h5-9,11,16,19H,4,10H2,1-3H3
InChIKeyADRXFRJQOHXHTR-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.81
Rot. Bonds6

About 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 105014462) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID105014462
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Cl)cc2OC)nc1
InChIInChI=1S/C17H21ClN2O/c1-4-12-5-7-14(20-11-12)10-16(19-2)15-8-6-13(18)9-17(15)21-3/h5-9,11,16,19H,4,10H2,1-3H3
InChIKeyADRXFRJQOHXHTR-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748694
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102804167
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (CID 105014462) is 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(Cl)cc2OC)nc1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is ADRXFRJQOHXHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-12-5-7-14(20-11-12)10-16(19-2)15-8-6-13(18)9-17(15)21-3/h5-9,11,16,19H,4,10H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 304.82 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105014462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).