2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

C13H19F3N2 — CID 107440958

IUPAC2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-9(2)10(7-17)8-18-12-5-3-4-11(6-12)13(14,15)16/h3-6,9-10,18H,7-8,17H2,1-2H3
InChIKeyFXFFRKOVCHMKJQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.35
Rot. Bonds5

About 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 107440958) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID107440958
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-9(2)10(7-17)8-18-12-5-3-4-11(6-12)13(14,15)16/h3-6,9-10,18H,7-8,17H2,1-2H3
InChIKeyFXFFRKOVCHMKJQ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 107441658
N-(3-methoxy-2-methylpropyl)-3-(trifluoromethyl)aniline
CID 116500690
N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441519
N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441924
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441517
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
N-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 29270698
3,3,3-trifluoro-N'-hydroxy-2-[[3-(trifluoromethyl)anilino]methyl]propanimidamide
CID 103369501
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442365

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 107440958) is 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is CC(C)C(CN)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is FXFFRKOVCHMKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-9(2)10(7-17)8-18-12-5-3-4-11(6-12)13(14,15)16/h3-6,9-10,18H,7-8,17H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 107440958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).