2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine

C17H21ClN2 — CID 107503819

IUPAC2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1cc(C)nc(C)c1
InChIInChI=1S/C17H21ClN2/c1-4-19-17(11-14-6-5-7-16(18)10-14)15-8-12(2)20-13(3)9-15/h5-10,17,19H,4,11H2,1-3H3
InChIKeyOTAYGKYLIWRQSS-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.25
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine

2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine (PubChem CID 107503819) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
PubChem CID107503819
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1cc(C)nc(C)c1
InChIInChI=1S/C17H21ClN2/c1-4-19-17(11-14-6-5-7-16(18)10-14)15-8-12(2)20-13(3)9-15/h5-10,17,19H,4,11H2,1-3H3
InChIKeyOTAYGKYLIWRQSS-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107503839
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105085899
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
[2-(3-chlorophenyl)-1-(4,6-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 114269548

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine (CID 107503819) is 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)c1cc(C)nc(C)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
The InChIKey is OTAYGKYLIWRQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-4-19-17(11-14-6-5-7-16(18)10-14)15-8-12(2)20-13(3)9-15/h5-10,17,19H,4,11H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine?
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine has a molecular weight of 288.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 107503819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).