3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

C17H26F3N — CID 115831156

IUPAC3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)C(C)(C)CC
InChIInChI=1S/C17H26F3N/c1-5-10-21-15(16(3,4)6-2)12-13-8-7-9-14(11-13)17(18,19)20/h7-9,11,15,21H,5-6,10,12H2,1-4H3
InChIKeyDKHVMPPDAJIZRR-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.05
Rot. Bonds7

About 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 115831156) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID115831156
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)C(C)(C)CC
InChIInChI=1S/C17H26F3N/c1-5-10-21-15(16(3,4)6-2)12-13-8-7-9-14(11-13)17(18,19)20/h7-9,11,15,21H,5-6,10,12H2,1-4H3
InChIKeyDKHVMPPDAJIZRR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-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

1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79093607
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
N,3-dimethyl-3-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115830913

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (CID 115831156) is 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is CCCNC(Cc1cccc(C(F)(F)F)c1)C(C)(C)CC.
What is the InChIKey of 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is DKHVMPPDAJIZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-5-10-21-15(16(3,4)6-2)12-13-8-7-9-14(11-13)17(18,19)20/h7-9,11,15,21H,5-6,10,12H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 301.40 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 115831156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).