4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine

C14H17N3O — CID 102903431

IUPAC4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
SMILESCOCCc1ccccc1Nc1ccncc1N
InChIInChI=1S/C14H17N3O/c1-18-9-7-11-4-2-3-5-13(11)17-14-6-8-16-10-12(14)15/h2-6,8,10H,7,9,15H2,1H3,(H,16,17)
InChIKeyXLRJSNYUWZYGKH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.60
Rot. Bonds5

About 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine

4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine (PubChem CID 102903431) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
PubChem CID102903431
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
SMILESCOCCc1ccccc1Nc1ccncc1N
InChIInChI=1S/C14H17N3O/c1-18-9-7-11-4-2-3-5-13(11)17-14-6-8-16-10-12(14)15/h2-6,8,10H,7,9,15H2,1H3,(H,16,17)
InChIKeyXLRJSNYUWZYGKH-UHFFFAOYSA-N
XLogP2.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
CID 102903466
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
CID 102905183
6-chloro-N-[2-(2-methoxyethyl)phenyl]pyrazin-2-amine
CID 102907301
6-hydrazinyl-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
CID 102908957
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
6-methoxy-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,5-diamine
CID 102903424
2-ethyl-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908806
1-ethyl-5-N-[2-(2-methoxyethyl)phenyl]-3-methylpyrazole-4,5-diamine
CID 102903455
6-N-[2-(2-methoxyethyl)phenyl]-2-N-methylpyridine-2,6-diamine
CID 102908736

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine (CID 102903431) is 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine is COCCc1ccccc1Nc1ccncc1N.
What is the InChIKey of 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine?
The InChIKey is XLRJSNYUWZYGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-9-7-11-4-2-3-5-13(11)17-14-6-8-16-10-12(14)15/h2-6,8,10H,7,9,15H2,1H3,(H,16,17).
What are the key properties of 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine?
4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine is sourced from PubChem (CID 102903431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).