3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

C16H24F3NO — CID 103026863

IUPAC3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-5-10-20-14(11-15(2,3)21-4)12-8-6-7-9-13(12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyMKBYSPQTPNOBTK-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.56
Rot. Bonds7

About 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 103026863) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID103026863
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-5-10-20-14(11-15(2,3)21-4)12-8-6-7-9-13(12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyMKBYSPQTPNOBTK-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]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

3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63559977
1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103029496
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
1-(2-tert-butylphenyl)-N-propylpentan-1-amine
CID 115832932

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (CID 103026863) is 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is CCCNC(CC(C)(C)OC)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is MKBYSPQTPNOBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-5-10-20-14(11-15(2,3)21-4)12-8-6-7-9-13(12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 103026863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).