N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine

C14H20F2N2 — CID 113328405

IUPACN-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2/c1-2-18(12-7-8-12)13(9-17)10-3-5-11(6-4-10)14(15)16/h3-6,12-14H,2,7-9,17H2,1H3
InChIKeyAIZHIXFXIHBOGS-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.11
Rot. Bonds6

About N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine

N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine (PubChem CID 113328405) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
PubChem CID113328405
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2/c1-2-18(12-7-8-12)13(9-17)10-3-5-11(6-4-10)14(15)16/h3-6,12-14H,2,7-9,17H2,1H3
InChIKeyAIZHIXFXIHBOGS-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-ethyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43264029
N-cyclohexyl-N-ethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 43078748
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937000
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 114053998
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 43264016
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine (CID 113328405) is N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine is CCN(C1CC1)C(CN)c1ccc(C(F)F)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
The InChIKey is AIZHIXFXIHBOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-18(12-7-8-12)13(9-17)10-3-5-11(6-4-10)14(15)16/h3-6,12-14H,2,7-9,17H2,1H3.
What are the key properties of N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 113328405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).