1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine

C14H20ClFN2 — CID 114843411

IUPAC1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1ccc(Cl)cc1F)C1CC1
InChIInChI=1S/C14H20ClFN2/c1-9(10-2-3-10)8-18-14(7-17)12-5-4-11(15)6-13(12)16/h4-6,9-10,14,18H,2-3,7-8,17H2,1H3
InChIKeyWLOQPYIALNGMSV-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.11
Rot. Bonds6

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

1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine (PubChem CID 114843411) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
PubChem CID114843411
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1ccc(Cl)cc1F)C1CC1
InChIInChI=1S/C14H20ClFN2/c1-9(10-2-3-10)8-18-14(7-17)12-5-4-11(15)6-13(12)16/h4-6,9-10,14,18H,2-3,7-8,17H2,1H3
InChIKeyWLOQPYIALNGMSV-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114076876
1-(4-chloro-2-fluorophenyl)-N-prop-2-ynylethane-1,2-diamine
CID 114843243
1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
CID 114843249
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
[(4-chloro-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232537
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 114843231
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine (CID 114843411) is 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine is CC(CNC(CN)c1ccc(Cl)cc1F)C1CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The InChIKey is WLOQPYIALNGMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9(10-2-3-10)8-18-14(7-17)12-5-4-11(15)6-13(12)16/h4-6,9-10,14,18H,2-3,7-8,17H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine has a molecular weight of 270.78 g/mol, XLogP of 3.11, 6 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-(2-cyclopropylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114843411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).