N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine

C14H21F3N2O — CID 2966014

IUPACN',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine
SMILESCN(C)CCNCCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O/c1-19(2)9-8-18-7-4-10-20-13-6-3-5-12(11-13)14(15,16)17/h3,5-6,11,18H,4,7-10H2,1-2H3
InChIKeyMUHFCLXBZOBTJC-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.63
Rot. Bonds8

About N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine (PubChem CID 2966014) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine
PubChem CID2966014
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine
SMILESCN(C)CCNCCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O/c1-19(2)9-8-18-7-4-10-20-13-6-3-5-12(11-13)14(15,16)17/h3,5-6,11,18H,4,7-10H2,1-2H3
InChIKeyMUHFCLXBZOBTJC-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Phenoxy-propyl)-(2-m-tolyloxy-ethyl)-amine
CID 10660814
1-[3-(2,5-Dimethylphenoxy)propyl]piperazine hydrochloride
CID 2943585
[3-(2-Allyl-phenoxy)-propyl]-isopropyl-amine
CID 10657300
(E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
CID 42624097
1-[4-(3-Methylphenoxy)butyl]piperazine
CID 1819304
4-(3-ethylphenoxy)-N-(2-methoxyethyl)-1-butanamine
CID 2298496
[3-(Biphenyl-3-yloxy)-propyl]-isopropyl-amine
CID 10492217
(2-p-Tolyloxy-ethyl)-(3-m-tolyloxy-propyl)-amine
CID 10494394
(1R,5S)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 12999584
N-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanamine
CID 134137680
N-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]piperidin-1-yl]ethanamine
CID 134138246
N-methyl-2-[3-[[3-(trifluoromethoxy)phenyl]methoxy]azetidin-1-yl]ethanamine
CID 137659934

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine (CID 2966014) is N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine is CN(C)CCNCCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine?
The InChIKey is MUHFCLXBZOBTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-19(2)9-8-18-7-4-10-20-13-6-3-5-12(11-13)14(15,16)17/h3,5-6,11,18H,4,7-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine has a molecular weight of 290.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine is sourced from PubChem (CID 2966014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).