2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine

C14H15Cl2N3 — CID 106890669

IUPAC2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCCc1cccnc1CNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-2-9-4-3-5-18-13(9)8-19-14-11(15)6-10(17)7-12(14)16/h3-7,19H,2,8,17H2,1H3
InChIKeyONRYXWCTZCKZTN-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.15
Rot. Bonds4

About 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine

2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine (PubChem CID 106890669) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
PubChem CID106890669
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCCc1cccnc1CNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-2-9-4-3-5-18-13(9)8-19-14-11(15)6-10(17)7-12(14)16/h3-7,19H,2,8,17H2,1H3
InChIKeyONRYXWCTZCKZTN-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

5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
CID 107196471
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
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
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 82739473
4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
5-chloro-4-[(3-ethyl-2-pyridinyl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114440937

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine (CID 106890669) is 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine is CCc1cccnc1CNc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The InChIKey is ONRYXWCTZCKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-2-9-4-3-5-18-13(9)8-19-14-11(15)6-10(17)7-12(14)16/h3-7,19H,2,8,17H2,1H3.
What are the key properties of 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-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 2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 106890669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).