N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine

C14H20F2N2 — CID 113328418

IUPACN-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2/c15-14(16)12-5-3-11(4-6-12)13(9-17)18-8-7-10-1-2-10/h3-6,10,13-14,18H,1-2,7-9,17H2
InChIKeyJDCAHSXRQAJULA-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.01
Rot. Bonds7

About N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine

N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 113328418) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID113328418
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2/c15-14(16)12-5-3-11(4-6-12)13(9-17)18-8-7-10-1-2-10/h3-6,10,13-14,18H,1-2,7-9,17H2
InChIKeyJDCAHSXRQAJULA-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylethyl)-1-[3-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115526938
N-(cyclopropylmethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65385455
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115524394
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 113478752
N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
CID 79982386
1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524319
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 114076857
1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 115524370
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011833
N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 79584820
N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113478720

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine (CID 113328418) is N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine is NCC(NCCC1CC1)c1ccc(C(F)F)cc1.
What is the InChIKey of N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is JDCAHSXRQAJULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-14(16)12-5-3-11(4-6-12)13(9-17)18-8-7-10-1-2-10/h3-6,10,13-14,18H,1-2,7-9,17H2.
What are the key properties of N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine?
N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 113328418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).