N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine

C16H19ClN2O — CID 103444391

IUPACN-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)c1ncccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-3-18-15(16-13(17)9-7-11-19-16)12-8-5-6-10-14(12)20-4-2/h5-11,15,18H,3-4H2,1-2H3
InChIKeyQYUFUXQKJVPKIA-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.83
Rot. Bonds6

About N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine

N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine (PubChem CID 103444391) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
PubChem CID103444391
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)c1ncccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-3-18-15(16-13(17)9-7-11-19-16)12-8-5-6-10-14(12)20-4-2/h5-11,15,18H,3-4H2,1-2H3
InChIKeyQYUFUXQKJVPKIA-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82729644
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 103444423
N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 103444424
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine (CID 103444391) is N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine is CCNC(c1ccccc1OCC)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine?
The InChIKey is QYUFUXQKJVPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-18-15(16-13(17)9-7-11-19-16)12-8-5-6-10-14(12)20-4-2/h5-11,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 103444391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).