4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine

C14H15Cl2N3 — CID 82740922

IUPAC4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCCc1cccnc1CNc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C14H15Cl2N3/c1-2-9-4-3-5-18-14(9)8-19-13-7-11(16)10(15)6-12(13)17/h3-7,19H,2,8,17H2,1H3
InChIKeyYUVBJZLYMNQLFM-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.15
Rot. Bonds4

About 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine

4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 82740922) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID82740922
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCCc1cccnc1CNc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C14H15Cl2N3/c1-2-9-4-3-5-18-14(9)8-19-13-7-11(16)10(15)6-12(13)17/h3-7,19H,2,8,17H2,1H3
InChIKeyYUVBJZLYMNQLFM-UHFFFAOYSA-N
XLogP4.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.15
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

2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
CID 107196471
4-chloro-5-fluoro-1-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 66077847
8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine
CID 103138899
2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
CID 82729877
3-N-[(3-ethyl-2-pyridinyl)methyl]-2-nitrobenzene-1,3-diamine
CID 82746862
2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 82741640
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82737497
4-bromo-2-[(3-ethyl-2-pyridinyl)methylamino]benzoic acid
CID 114907475
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine (CID 82740922) is 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine is CCc1cccnc1CNc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is YUVBJZLYMNQLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-2-9-4-3-5-18-14(9)8-19-13-7-11(16)10(15)6-12(13)17/h3-7,19H,2,8,17H2,1H3.
What are the key properties of 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine?
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 296.20 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 82740922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).