1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine

C14H21F3N2 — CID 103109740

IUPAC1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-4-19(3)10-11(2)18-9-12-6-5-7-13(8-12)14(15,16)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyREBIDIGNAIUCOQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.14
Rot. Bonds6

About 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine (PubChem CID 103109740) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
PubChem CID103109740
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2/c1-4-19(3)10-11(2)18-9-12-6-5-7-13(8-12)14(15,16)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyREBIDIGNAIUCOQ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 115626116
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
CID 103109766
1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
CID 103110034
1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985
N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine
CID 62119825
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981
(2S)-4-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 30982638
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine (CID 103109740) is 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine is CCN(C)CC(C)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is REBIDIGNAIUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-19(3)10-11(2)18-9-12-6-5-7-13(8-12)14(15,16)17/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 103109740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).