1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine

C15H22ClFN2 — CID 81144764

IUPAC1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-2-19(12-5-3-4-6-12)15(10-18)11-7-8-14(17)13(16)9-11/h7-9,12,15H,2-6,10,18H2,1H3
InChIKeyUGIFDNLMHMFHKL-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine

1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine (PubChem CID 81144764) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
PubChem CID81144764
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-2-19(12-5-3-4-6-12)15(10-18)11-7-8-14(17)13(16)9-11/h7-9,12,15H,2-6,10,18H2,1H3
InChIKeyUGIFDNLMHMFHKL-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302
1-(3-chloro-5-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 114453222
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
N-cyclohexyl-N-ethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 43078748
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43180409
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 81145990
N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 114053998

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine (CID 81144764) is 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine is CCN(C1CCCC1)C(CN)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
The InChIKey is UGIFDNLMHMFHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-19(12-5-3-4-6-12)15(10-18)11-7-8-14(17)13(16)9-11/h7-9,12,15H,2-6,10,18H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine?
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine has a molecular weight of 284.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine is sourced from PubChem (CID 81144764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).