2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride

C15H20ClN3O2 — CID 71627680

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
SMILESCOc1ccc(CCNc2ncccc2N)cc1OC.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-19-13-6-5-11(10-14(13)20-2)7-9-18-15-12(16)4-3-8-17-15;/h3-6,8,10H,7,9,16H2,1-2H3,(H,17,18);1H
InChIKeyXFAQYBOTGJRFMR-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.76
Rot. Bonds6

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride

2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride (PubChem CID 71627680) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
PubChem CID71627680
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
SMILESCOc1ccc(CCNc2ncccc2N)cc1OC.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-19-13-6-5-11(10-14(13)20-2)7-9-18-15-12(16)4-3-8-17-15;/h3-6,8,10H,7,9,16H2,1-2H3,(H,17,18);1H
InChIKeyXFAQYBOTGJRFMR-UHFFFAOYSA-N
XLogP2.76
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103077847
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541569
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 19685990

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride (CID 71627680) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride is COc1ccc(CCNc2ncccc2N)cc1OC.Cl.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride?
The InChIKey is XFAQYBOTGJRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-19-13-6-5-11(10-14(13)20-2)7-9-18-15-12(16)4-3-8-17-15;/h3-6,8,10H,7,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride is sourced from PubChem (CID 71627680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).