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

C17H21ClN2O — CID 82732783

IUPACN-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1ncccc1CC
InChIInChI=1S/C17H21ClN2O/c1-4-12-7-6-10-20-16(12)17(19-5-2)13-8-9-14(18)15(11-13)21-3/h6-11,17,19H,4-5H2,1-3H3
InChIKeyLYSICFNAYOIVRF-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.00
Rot. Bonds6

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

N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 82732783) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
PubChem CID82732783
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1ncccc1CC
InChIInChI=1S/C17H21ClN2O/c1-4-12-7-6-10-20-16(12)17(19-5-2)13-8-9-14(18)15(11-13)21-3/h6-11,17,19H,4-5H2,1-3H3
InChIKeyLYSICFNAYOIVRF-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105164557
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 107560643
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82729644
[(4-chloro-3-methoxyphenyl)-(2-ethylphenyl)methyl]hydrazine
CID 105320852
[(2,6-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263860
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105164576

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine (CID 82732783) is N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(OC)c1)c1ncccc1CC.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is LYSICFNAYOIVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-12-7-6-10-20-16(12)17(19-5-2)13-8-9-14(18)15(11-13)21-3/h6-11,17,19H,4-5H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine?
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 304.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82732783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).