1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine

C14H20ClFN2 — CID 114843249

IUPAC1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2/c15-10-6-7-12(13(16)8-10)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2
InChIKeyKYCVUVQKIKRXNI-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine

1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine (PubChem CID 114843249) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
PubChem CID114843249
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2/c15-10-6-7-12(13(16)8-10)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2
InChIKeyKYCVUVQKIKRXNI-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
CID 66158422
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
[(4-chloro-2-fluorophenyl)-cycloheptylmethyl]hydrazine
CID 105217855
1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114843411
[1-(4-chloro-2-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227859
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine (CID 114843249) is 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine is NCC(NC1CCCCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine?
The InChIKey is KYCVUVQKIKRXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c15-10-6-7-12(13(16)8-10)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine?
1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine has a molecular weight of 270.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 114843249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).