N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

C16H24F3NO — CID 105044327

IUPACN-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)C(C)CCOC
InChIInChI=1S/C16H24F3NO/c1-4-20-15(12(2)9-10-21-3)11-13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3
InChIKeyNNJFZIYPUIQLPD-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.90
Rot. Bonds8

About N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 105044327) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID105044327
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)C(C)CCOC
InChIInChI=1S/C16H24F3NO/c1-4-20-15(12(2)9-10-21-3)11-13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3
InChIKeyNNJFZIYPUIQLPD-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105337979
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
1-(2-bromo-4-methoxybutyl)-4-(trifluoromethyl)benzene
CID 63018737
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
1-(2-chloro-5-methoxypentyl)-4-(trifluoromethyl)benzene
CID 114198195
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
(5-methoxy-3-methyl-1-pyridin-4-ylpentan-2-yl)hydrazine
CID 105212316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (CID 105044327) is N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is CCNC(Cc1ccc(C(F)(F)F)cc1)C(C)CCOC.
What is the InChIKey of N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is NNJFZIYPUIQLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-4-20-15(12(2)9-10-21-3)11-13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 303.37 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 105044327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).