N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine

C15H19N3 — CID 82130067

IUPACN-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccncc2)c1C
InChIInChI=1S/C15H19N3/c1-11-4-3-5-14(12(11)2)18-15(10-16)13-6-8-17-9-7-13/h3-9,15,18H,10,16H2,1-2H3
InChIKeyUBNDGWVWZOCAPY-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.81
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine

N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine (PubChem CID 82130067) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine
PubChem CID82130067
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccncc2)c1C
InChIInChI=1S/C15H19N3/c1-11-4-3-5-14(12(11)2)18-15(10-16)13-6-8-17-9-7-13/h3-9,15,18H,10,16H2,1-2H3
InChIKeyUBNDGWVWZOCAPY-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
3-N-(2,3-dimethylphenyl)butane-1,3-diamine
CID 117027018
N-(4-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131042
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
CID 43765643
3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
CID 3958649
(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
CID 7034965
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82133167
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751
N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
2-(2,3-dimethylanilino)propan-1-ol
CID 21221760

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine (CID 82130067) is N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine is Cc1cccc(NC(CN)c2ccncc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine?
The InChIKey is UBNDGWVWZOCAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-4-3-5-14(12(11)2)18-15(10-16)13-6-8-17-9-7-13/h3-9,15,18H,10,16H2,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine?
N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 82130067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).