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

C13H19F3N2 — CID 79054171

IUPAC2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-12(2,18(3)4)11(17)9-6-5-7-10(8-9)13(14,15)16/h5-8,11H,17H2,1-4H3
InChIKeyXUNVKWVWWIKYKJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.05
Rot. Bonds3

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

2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 79054171) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID79054171
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-12(2,18(3)4)11(17)9-6-5-7-10(8-9)13(14,15)16/h5-8,11H,17H2,1-4H3
InChIKeyXUNVKWVWWIKYKJ-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850671
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 171035691
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 79054171) is 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine is CN(C)C(C)(C)C(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is XUNVKWVWWIKYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-12(2,18(3)4)11(17)9-6-5-7-10(8-9)13(14,15)16/h5-8,11H,17H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 79054171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).