1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine

C16H17F3N2 — CID 63402660

IUPAC1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCN(c1cccc(C)c1)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C16H17F3N2/c1-3-21(13-6-4-5-11(2)9-13)15-8-7-12(10-14(15)20)16(17,18)19/h4-10H,3,20H2,1-2H3
InChIKeyAZFPWKYAGYXRGX-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.75
Rot. Bonds3

About 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 63402660) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID63402660
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCN(c1cccc(C)c1)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C16H17F3N2/c1-3-21(13-6-4-5-11(2)9-13)15-8-7-12(10-14(15)20)16(17,18)19/h4-10H,3,20H2,1-2H3
InChIKeyAZFPWKYAGYXRGX-UHFFFAOYSA-N
XLogP4.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818283
4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747375
3-amino-4-(N-ethyl-3-methylanilino)benzamide
CID 61076216
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
4-amino-3-(N-ethyl-3-methylanilino)benzamide
CID 63355886
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
CID 78934620
1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952
2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
CID 114054158
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905566

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 63402660) is 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine is CCN(c1cccc(C)c1)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is AZFPWKYAGYXRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-3-21(13-6-4-5-11(2)9-13)15-8-7-12(10-14(15)20)16(17,18)19/h4-10H,3,20H2,1-2H3.
What are the key properties of 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 294.32 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 63402660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).