1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine

C14H13Cl2FN2 — CID 114843280

IUPAC1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C14H13Cl2FN2/c15-9-5-6-12(17)10(7-9)14(8-18)19-13-4-2-1-3-11(13)16/h1-7,14,19H,8,18H2
InChIKeyLJMWODYYELMWIA-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.24
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine

1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 114843280) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
PubChem CID114843280
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C14H13Cl2FN2/c15-9-5-6-12(17)10(7-9)14(8-18)19-13-4-2-1-3-11(13)16/h1-7,14,19H,8,18H2
InChIKeyLJMWODYYELMWIA-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

N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
1-(2,5-difluorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377111
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
CID 114843404
1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65377930
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine (CID 114843280) is 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is LJMWODYYELMWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c15-9-5-6-12(17)10(7-9)14(8-18)19-13-4-2-1-3-11(13)16/h1-7,14,19H,8,18H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)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-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 114843280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).