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

C14H20F3NO — CID 116718838

IUPAC2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCCC(OC)C(NC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-4-5-12(19-3)13(18-2)10-6-8-11(9-7-10)14(15,16)17/h6-9,12-13,18H,4-5H2,1-3H3
InChIKeyVOULUZGAKZVBQA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.78
Rot. Bonds6

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

2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 116718838) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID116718838
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCCC(OC)C(NC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-4-5-12(19-3)13(18-2)10-6-8-11(9-7-10)14(15,16)17/h6-9,12-13,18H,4-5H2,1-3H3
InChIKeyVOULUZGAKZVBQA-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718735
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 116715723
N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 79492862
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 107289370
(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 92974659
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 82989467
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102833855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine (CID 116718838) is 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine is CCCC(OC)C(NC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is VOULUZGAKZVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-5-12(19-3)13(18-2)10-6-8-11(9-7-10)14(15,16)17/h6-9,12-13,18H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 116718838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).