3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine

C15H22F3NO — CID 60995873

IUPAC3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
SMILESCCCNC(C)C(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-9-19-12(3)11(2)10-13-5-7-14(8-6-13)20-15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyBGMCVKGIIWEVTP-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.15
Rot. Bonds7

About 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine

3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine (PubChem CID 60995873) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
PubChem CID60995873
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
SMILESCCCNC(C)C(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-9-19-12(3)11(2)10-13-5-7-14(8-6-13)20-15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyBGMCVKGIIWEVTP-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 65421078
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 115782110
N-ethyl-1-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65131725
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528832
N-propyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528830
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
N-(3-methylpentan-2-yl)-4-(trifluoromethoxy)aniline
CID 43095630
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine?
The IUPAC name of 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine (CID 60995873) is 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine is CCCNC(C)C(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine?
The InChIKey is BGMCVKGIIWEVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-9-19-12(3)11(2)10-13-5-7-14(8-6-13)20-15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine?
3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine has a molecular weight of 289.34 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60995873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).