N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine

C13H16F4N2 — CID 103911705

IUPACN'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(C(F)(F)F)cc1F)C1CC1
InChIInChI=1S/C13H16F4N2/c1-19(10-3-4-10)7-6-18-12-5-2-9(8-11(12)14)13(15,16)17/h2,5,8,10,18H,3-4,6-7H2,1H3
InChIKeyBYGFWNYYJJEDDC-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.35
Rot. Bonds5

About N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine (PubChem CID 103911705) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
PubChem CID103911705
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC NameN'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(C(F)(F)F)cc1F)C1CC1
InChIInChI=1S/C13H16F4N2/c1-19(10-3-4-10)7-6-18-12-5-2-9(8-11(12)14)13(15,16)17/h2,5,8,10,18H,3-4,6-7H2,1H3
InChIKeyBYGFWNYYJJEDDC-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107303431
4-[2-[cyclopropyl(methyl)amino]ethylamino]-3-fluorobenzenecarbothioamide
CID 62979755
2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107303497
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
N-(4-chlorobutyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304185
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluorobenzene-1,2-diamine
CID 62974996
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
2-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-4-fluorobenzoic acid
CID 62978741
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115052335

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine (CID 103911705) is N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine is CN(CCNc1ccc(C(F)(F)F)cc1F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine?
The InChIKey is BYGFWNYYJJEDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-19(10-3-4-10)7-6-18-12-5-2-9(8-11(12)14)13(15,16)17/h2,5,8,10,18H,3-4,6-7H2,1H3.
What are the key properties of N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine has a molecular weight of 276.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103911705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).