N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine

C10H12ClF3N2 — CID 84729053

IUPACN'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESNCC(CNc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2/c11-8-1-3-9(4-2-8)16-6-7(5-15)10(12,13)14/h1-4,7,16H,5-6,15H2
InChIKeyGDAUOHGMNNQZOJ-UHFFFAOYSA-N
MW252.67 g/mol
LogP2.89
Rot. Bonds4

About N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine

N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 84729053) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID84729053
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC NameN'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESNCC(CNc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2/c11-8-1-3-9(4-2-8)16-6-7(5-15)10(12,13)14/h1-4,7,16H,5-6,15H2
InChIKeyGDAUOHGMNNQZOJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol
CID 84726902
1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 82534338
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551
N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 84716612
4-chloro-N-(3,3-dimethylbutyl)aniline
CID 63422383
N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
CID 10879673
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
CID 112980356
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine (CID 84729053) is N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine is NCC(CNc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is GDAUOHGMNNQZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c11-8-1-3-9(4-2-8)16-6-7(5-15)10(12,13)14/h1-4,7,16H,5-6,15H2.
What are the key properties of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 252.67 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 84729053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).