3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine

C15H16Cl2N2 — CID 107306757

IUPAC3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
SMILESCCN(Cc1cccc(Cl)c1Cl)c1cccc(N)c1
InChIInChI=1S/C15H16Cl2N2/c1-2-19(13-7-4-6-12(18)9-13)10-11-5-3-8-14(16)15(11)17/h3-9H,2,10,18H2,1H3
InChIKeyABYHWFGGKSWXEU-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.60
Rot. Bonds4

About 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine

3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine (PubChem CID 107306757) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
PubChem CID107306757
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
SMILESCCN(Cc1cccc(Cl)c1Cl)c1cccc(N)c1
InChIInChI=1S/C15H16Cl2N2/c1-2-19(13-7-4-6-12(18)9-13)10-11-5-3-8-14(16)15(11)17/h3-9H,2,10,18H2,1H3
InChIKeyABYHWFGGKSWXEU-UHFFFAOYSA-N
XLogP4.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
3-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 103038313
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-[(2-chloro-4-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 106864224
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
3-[(4-chloro-N-ethylanilino)methyl]aniline
CID 143248612
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 107306759
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine?
The IUPAC name of 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine (CID 107306757) is 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine is CCN(Cc1cccc(Cl)c1Cl)c1cccc(N)c1.
What is the InChIKey of 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine?
The InChIKey is ABYHWFGGKSWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-2-19(13-7-4-6-12(18)9-13)10-11-5-3-8-14(16)15(11)17/h3-9H,2,10,18H2,1H3.
What are the key properties of 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine?
3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine has a molecular weight of 295.21 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 107306757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).