N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine

C14H21F3N2 — CID 103366167

IUPACN'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCCN(Cc1ccccc1)CC(CN)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-2-8-19(10-12-6-4-3-5-7-12)11-13(9-18)14(15,16)17/h3-7,13H,2,8-11,18H2,1H3
InChIKeyJMPWBJPHILVEBU-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.04
Rot. Bonds7

About N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine

N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366167) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366167
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCCN(Cc1ccccc1)CC(CN)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-2-8-19(10-12-6-4-3-5-7-12)11-13(9-18)14(15,16)17/h3-7,13H,2,8-11,18H2,1H3
InChIKeyJMPWBJPHILVEBU-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
N,N-dibenzylpropan-1-amine
CID 10840212
1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 131052434
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
2-[[3-aminopropyl(benzyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 107367150
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
CID 122491448
N-benzyl-N-propylhexan-1-amine
CID 123983090
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine (CID 103366167) is N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine is CCCN(Cc1ccccc1)CC(CN)C(F)(F)F.
What is the InChIKey of N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is JMPWBJPHILVEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-2-8-19(10-12-6-4-3-5-7-12)11-13(9-18)14(15,16)17/h3-7,13H,2,8-11,18H2,1H3.
What are the key properties of N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).