N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H17F3N2 — CID 55085608

IUPACN'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H17F3N2/c1-2-17(11-6-4-3-5-7-11)9-8-16-10-12(13,14)15/h3-7,16H,2,8-10H2,1H3
InChIKeyBVMOQHPVWKMIBF-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.66
Rot. Bonds6

About N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55085608) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55085608
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H17F3N2/c1-2-17(11-6-4-3-5-7-11)9-8-16-10-12(13,14)15/h3-7,16H,2,8-10H2,1H3
InChIKeyBVMOQHPVWKMIBF-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62573370
N-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
N,N-diethylaniline
CID 7061
N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 63481796
N'-ethyl-N'-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 54806369
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336
N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 62424864
N,N-diethylaniline;hydrazine
CID 161037544
N-(4-butoxyphenyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 54806162
2-[2-(N-ethylanilino)ethylamino]propanenitrile
CID 70583680
N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554048

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55085608) is N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CCNCC(F)(F)F)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is BVMOQHPVWKMIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-2-17(11-6-4-3-5-7-11)9-8-16-10-12(13,14)15/h3-7,16H,2,8-10H2,1H3.
What are the key properties of N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55085608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).