N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine

C16H19ClN2O2 — CID 103444648

IUPACN-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1OC)c1ncccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-4-18-15(16-13(17)6-5-9-19-16)12-8-7-11(20-2)10-14(12)21-3/h5-10,15,18H,4H2,1-3H3
InChIKeyXGMGAACKDSCBEW-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.45
Rot. Bonds6

About N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine

N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 103444648) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID103444648
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1OC)c1ncccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-4-18-15(16-13(17)6-5-9-19-16)12-8-7-11(20-2)10-14(12)21-3/h5-10,15,18H,4H2,1-3H3
InChIKeyXGMGAACKDSCBEW-UHFFFAOYSA-N
XLogP3.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 103444391
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103444034
N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395826
N-[(2,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360353
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649
(2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729850
N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923601
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 103444757

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine (CID 103444648) is N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1OC)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is XGMGAACKDSCBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-18-15(16-13(17)6-5-9-19-16)12-8-7-11(20-2)10-14(12)21-3/h5-10,15,18H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 306.79 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 103444648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).