2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine

C11H15F3N2 — CID 43752644

IUPAC2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-16(9-6-4-3-5-7-9)10(8-15)11(12,13)14/h3-7,10H,2,8,15H2,1H3
InChIKeyPIDAPERCVQDKLO-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.40
Rot. Bonds4

About 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine

2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine (PubChem CID 43752644) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
PubChem CID43752644
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-16(9-6-4-3-5-7-9)10(8-15)11(12,13)14/h3-7,10H,2,8,15H2,1H3
InChIKeyPIDAPERCVQDKLO-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 62001435
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
CID 60709858
N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163795
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422
1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 63898650
1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 62085737
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
2-(N-ethylanilino)butanenitrile
CID 21413076
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine (CID 43752644) is 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine is CCN(c1ccccc1)C(CN)C(F)(F)F.
What is the InChIKey of 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine?
The InChIKey is PIDAPERCVQDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-2-16(9-6-4-3-5-7-9)10(8-15)11(12,13)14/h3-7,10H,2,8,15H2,1H3.
What are the key properties of 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine?
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 43752644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).