N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine

C17H21ClN2 — CID 107560643

IUPACN-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ncccc1CC
InChIInChI=1S/C17H21ClN2/c1-4-13-7-6-10-20-16(13)17(19-5-2)14-9-8-12(3)15(18)11-14/h6-11,17,19H,4-5H2,1-3H3
InChIKeyIEHZBNKRORRJAV-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.30
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 107560643) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
PubChem CID107560643
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ncccc1CC
InChIInChI=1S/C17H21ClN2/c1-4-13-7-6-10-20-16(13)17(19-5-2)14-9-8-12(3)15(18)11-14/h6-11,17,19H,4-5H2,1-3H3
InChIKeyIEHZBNKRORRJAV-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
1-(3,4-dimethylphenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82730774
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82729644
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 107560238
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895
N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
N-[(3-chloro-4-methylphenyl)-(3-methyl-4-pyridinyl)methyl]ethanamine
CID 107560626
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine (CID 107560643) is N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)c(Cl)c1)c1ncccc1CC.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is IEHZBNKRORRJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-4-13-7-6-10-20-16(13)17(19-5-2)14-9-8-12(3)15(18)11-14/h6-11,17,19H,4-5H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 288.82 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107560643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).