4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine

C16H24F3NO — CID 105044369

IUPAC4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)C(C)CCOC
InChIInChI=1S/C16H24F3NO/c1-4-10-20-15(12(2)9-11-21-3)13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3
InChIKeySGKBTKOPXZOMRB-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.42
Rot. Bonds8

About 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine

4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 105044369) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID105044369
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)C(C)CCOC
InChIInChI=1S/C16H24F3NO/c1-4-10-20-15(12(2)9-11-21-3)13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3
InChIKeySGKBTKOPXZOMRB-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 105044327
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 63200596
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
CID 105017368

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine (CID 105044369) is 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine is CCCNC(c1ccc(C(F)(F)F)cc1)C(C)CCOC.
What is the InChIKey of 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is SGKBTKOPXZOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-4-10-20-15(12(2)9-11-21-3)13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 105044369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).