4-(2-pyridin-2-ylethyl)benzene-1,2-diamine

C13H15N3 — CID 10398308

IUPAC4-(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(CCc2ccccn2)cc1N
InChIInChI=1S/C13H15N3/c14-12-7-5-10(9-13(12)15)4-6-11-3-1-2-8-16-11/h1-3,5,7-9H,4,6,14-15H2
InChIKeyCFRMSNXEHYCFSM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.03
Rot. Bonds3

About 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine

4-(2-pyridin-2-ylethyl)benzene-1,2-diamine (PubChem CID 10398308) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethyl)benzene-1,2-diamine
PubChem CID10398308
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(CCc2ccccn2)cc1N
InChIInChI=1S/C13H15N3/c14-12-7-5-10(9-13(12)15)4-6-11-3-1-2-8-16-11/h1-3,5,7-9H,4,6,14-15H2
InChIKeyCFRMSNXEHYCFSM-UHFFFAOYSA-N
XLogP2.03
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine
CID 10105663
2-methoxy-4-(2-pyridin-2-ylethyl)pyridine
CID 59293409
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine
CID 46735356
2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine
CID 168602362
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
2-(2-fluoroethyl)pyridine
CID 23246235

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine (CID 10398308) is 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine is Nc1ccc(CCc2ccccn2)cc1N.
What is the InChIKey of 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The InChIKey is CFRMSNXEHYCFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-12-7-5-10(9-13(12)15)4-6-11-3-1-2-8-16-11/h1-3,5,7-9H,4,6,14-15H2.
What are the key properties of 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
4-(2-pyridin-2-ylethyl)benzene-1,2-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 10398308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).