N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

C13H19F3N2 — CID 55218520

IUPACN'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCCCN(CCN)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-2-3-9-18(10-8-17)12-7-5-4-6-11(12)13(14,15)16/h4-7H,2-3,8-10,17H2,1H3
InChIKeyRNKSYPHKHSSADN-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.27
Rot. Bonds6

About N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 55218520) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID55218520
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCCCN(CCN)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-2-3-9-18(10-8-17)12-7-5-4-6-11(12)13(14,15)16/h4-7H,2-3,8-10,17H2,1H3
InChIKeyRNKSYPHKHSSADN-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-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

N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
CID 117013526
N'-butyl-N'-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62649946
N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313283
4-(bromomethyl)-N,N-dibutyl-2-(trifluoromethyl)aniline
CID 107079764
2-[5-bromo-N-butyl-2-(trifluoromethyl)anilino]ethanol
CID 107289794
N,N-dibutyl-2-propan-2-ylaniline
CID 67779975
N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
CID 22251734
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 55218520) is N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCCCN(CCN)c1ccccc1C(F)(F)F.
What is the InChIKey of N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is RNKSYPHKHSSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-2-3-9-18(10-8-17)12-7-5-4-6-11(12)13(14,15)16/h4-7H,2-3,8-10,17H2,1H3.
What are the key properties of N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 55218520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).