1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine

C14H13Cl2FN2 — CID 65376445

IUPAC1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c15-12-6-1-9(7-13(12)16)14(8-18)19-11-4-2-10(17)3-5-11/h1-7,14,19H,8,18H2
InChIKeyRJGLKWQKAVQFRU-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.24
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine

1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 65376445) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID65376445
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c15-12-6-1-9(7-13(12)16)14(8-18)19-11-4-2-10(17)3-5-11/h1-7,14,19H,8,18H2
InChIKeyRJGLKWQKAVQFRU-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591979
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 65378964
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (CID 65376445) is 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is NCC(Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is RJGLKWQKAVQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c15-12-6-1-9(7-13(12)16)14(8-18)19-11-4-2-10(17)3-5-11/h1-7,14,19H,8,18H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 299.18 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65376445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).