2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine

C14H21F3N2O — CID 28651878

IUPAC2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O/c1-13(2,19(3)4)10-18-9-11-5-7-12(8-6-11)20-14(15,16)17/h5-8,18H,9-10H2,1-4H3
InChIKeyXIQGBFRXHIMCKC-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.02
Rot. Bonds6

About 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine (PubChem CID 28651878) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
PubChem CID28651878
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O/c1-13(2,19(3)4)10-18-9-11-5-7-12(8-6-11)20-14(15,16)17/h5-8,18H,9-10H2,1-4H3
InChIKeyXIQGBFRXHIMCKC-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 103698439
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60926600
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
N-hydroxy-2,2-dimethyl-3-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methylamino]propanamide;propane
CID 159450635
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
1-N-[(3,5-difluorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113338369
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084
(E)-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 113236609
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine (CID 28651878) is 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine is CN(C)C(C)(C)CNCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
The InChIKey is XIQGBFRXHIMCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-13(2,19(3)4)10-18-9-11-5-7-12(8-6-11)20-14(15,16)17/h5-8,18H,9-10H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 28651878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).