N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine

C14H21F3N2 — CID 71073177

IUPACN-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-4-11-8-12(14(15,16)17)10-13(9-11)18-6-5-7-19(2)3/h8-10,18H,4-7H2,1-3H3
InChIKeyGYWTVOVWOLQMSU-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds6

About N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine

N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 71073177) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID71073177
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-4-11-8-12(14(15,16)17)10-13(9-11)18-6-5-7-19(2)3/h8-10,18H,4-7H2,1-3H3
InChIKeyGYWTVOVWOLQMSU-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 102721008
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 115511456
N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
CID 58563398
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine (CID 71073177) is N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine is CCc1cc(NCCCN(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is GYWTVOVWOLQMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-11-8-12(14(15,16)17)10-13(9-11)18-6-5-7-19(2)3/h8-10,18H,4-7H2,1-3H3.
What are the key properties of N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 71073177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).