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

C14H13Cl3N2 — CID 106890129

IUPAC2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
SMILESCC(Nc1c(Cl)cc(N)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H13Cl3N2/c1-8(9-3-2-4-10(15)5-9)19-14-12(16)6-11(18)7-13(14)17/h2-8,19H,18H2,1H3
InChIKeyYDKJNPVDYLYNKC-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.40
Rot. Bonds3

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

2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine (PubChem CID 106890129) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
PubChem CID106890129
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC Name2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
SMILESCC(Nc1c(Cl)cc(N)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H13Cl3N2/c1-8(9-3-2-4-10(15)5-9)19-14-12(16)6-11(18)7-13(14)17/h2-8,19H,18H2,1H3
InChIKeyYDKJNPVDYLYNKC-UHFFFAOYSA-N
XLogP5.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82819096
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
CID 72566162
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359303
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine (CID 106890129) is 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine is CC(Nc1c(Cl)cc(N)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine?
The InChIKey is YDKJNPVDYLYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2/c1-8(9-3-2-4-10(15)5-9)19-14-12(16)6-11(18)7-13(14)17/h2-8,19H,18H2,1H3.
What are the key properties of 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine has a molecular weight of 315.63 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106890129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).