N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C15H24F3N3 — CID 63693245

IUPACN'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H24F3N3/c1-20(2)9-4-10-21(3)14(11-19)12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,4,9-11,19H2,1-3H3
InChIKeyOHWCPYDKZFJPKB-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.59
Rot. Bonds7

About N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63693245) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63693245
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H24F3N3/c1-20(2)9-4-10-21(3)14(11-19)12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,4,9-11,19H2,1-3H3
InChIKeyOHWCPYDKZFJPKB-UHFFFAOYSA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 61427131
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
N-[2-(dimethylamino)ethyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115350857
N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43265565
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
CID 62682731
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N'-[2-amino-1-(2,5-difluorophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226755
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-N-propylethane-1,2-diamine
CID 115350824
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63693245) is N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)C(CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is OHWCPYDKZFJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-20(2)9-4-10-21(3)14(11-19)12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,4,9-11,19H2,1-3H3.
What are the key properties of N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 303.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63693245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).