2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine

C14H20F3NO — CID 103698439

IUPAC2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-4-13(2,3)10-18-9-11-5-7-12(8-6-11)19-14(15,16)17/h5-8,18H,4,9-10H2,1-3H3
InChIKeyDGAVEOOYXAQYPW-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.11
Rot. Bonds6

About 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine

2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine (PubChem CID 103698439) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
PubChem CID103698439
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-4-13(2,3)10-18-9-11-5-7-12(8-6-11)19-14(15,16)17/h5-8,18H,4,9-10H2,1-3H3
InChIKeyDGAVEOOYXAQYPW-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 28651878
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine
CID 113242961
N-hydroxy-2,2-dimethyl-3-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methylamino]propanamide;propane
CID 159450635
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
3-butoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115575536
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
(E)-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 113236609

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine (CID 103698439) is 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine is CCC(C)(C)CNCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
The InChIKey is DGAVEOOYXAQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-13(2,3)10-18-9-11-5-7-12(8-6-11)19-14(15,16)17/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 103698439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).