5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine

C14H17N3 — CID 62314086

IUPAC5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
SMILESCc1cccc(CCNc2ccc(N)nc2)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-12(9-11)7-8-16-13-5-6-14(15)17-10-13/h2-6,9-10,16H,7-8H2,1H3,(H2,15,17)
InChIKeyRWNKOSUMSZLBTE-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.63
Rot. Bonds4

About 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine

5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine (PubChem CID 62314086) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
PubChem CID62314086
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
SMILESCc1cccc(CCNc2ccc(N)nc2)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-12(9-11)7-8-16-13-5-6-14(15)17-10-13/h2-6,9-10,16H,7-8H2,1H3,(H2,15,17)
InChIKeyRWNKOSUMSZLBTE-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine (CID 62314086) is 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine is Cc1cccc(CCNc2ccc(N)nc2)c1.
What is the InChIKey of 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine?
The InChIKey is RWNKOSUMSZLBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-3-2-4-12(9-11)7-8-16-13-5-6-14(15)17-10-13/h2-6,9-10,16H,7-8H2,1H3,(H2,15,17).
What are the key properties of 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine?
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 62314086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).