2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine

C13H19F3N2 — CID 63760833

IUPAC2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2/c1-3-12(4-2,9-17)18-11-7-5-10(6-8-11)13(14,15)16/h5-8,18H,3-4,9,17H2,1-2H3
InChIKeyCWBYRSCOFQYOAN-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.63
Rot. Bonds5

About 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine

2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine (PubChem CID 63760833) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine
PubChem CID63760833
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2/c1-3-12(4-2,9-17)18-11-7-5-10(6-8-11)13(14,15)16/h5-8,18H,3-4,9,17H2,1-2H3
InChIKeyCWBYRSCOFQYOAN-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62724100
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
CID 62523635
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
2-ethyl-4-methyl-2-N-phenylhexane-1,2-diamine
CID 65381513
N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 134216743
1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 139265575
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
N-[3-(chloromethyl)pentan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114304583
2-ethyl-2-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950611

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine (CID 63760833) is 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine is CCC(CC)(CN)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine?
The InChIKey is CWBYRSCOFQYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-12(4-2,9-17)18-11-7-5-10(6-8-11)13(14,15)16/h5-8,18H,3-4,9,17H2,1-2H3.
What are the key properties of 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine?
2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-[4-(trifluoromethyl)phenyl]butane-1,2-diamine is sourced from PubChem (CID 63760833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).