N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine

C16H24F2N2O — CID 43540885

IUPACN-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O/c1-2-20(12-7-3-4-8-12)14(11-19)13-9-5-6-10-15(13)21-16(17)18/h5-6,9-10,12,14,16H,2-4,7-8,11,19H2,1H3
InChIKeyUJQGVDFQNOKPHZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.55
Rot. Bonds7

About N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine

N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine (PubChem CID 43540885) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
PubChem CID43540885
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O/c1-2-20(12-7-3-4-8-12)14(11-19)13-9-5-6-10-15(13)21-16(17)18/h5-6,9-10,12,14,16H,2-4,7-8,11,19H2,1H3
InChIKeyUJQGVDFQNOKPHZ-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 43270179
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43180409
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
CID 43294708
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine (CID 43540885) is N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine is CCN(C1CCCC1)C(CN)c1ccccc1OC(F)F.
What is the InChIKey of N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
The InChIKey is UJQGVDFQNOKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-2-20(12-7-3-4-8-12)14(11-19)13-9-5-6-10-15(13)21-16(17)18/h5-6,9-10,12,14,16H,2-4,7-8,11,19H2,1H3.
What are the key properties of N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine?
N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine has a molecular weight of 298.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43540885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).