N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine

C15H22F3NO — CID 62529892

IUPACN-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCC(CNC(C)(C)C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(10-19-14(2,3)4)9-12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeyKKZAJKQJELOIGS-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.15
Rot. Bonds5

About N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine

N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 62529892) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID62529892
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCC(CNC(C)(C)C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(10-19-14(2,3)4)9-12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeyKKZAJKQJELOIGS-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
1-(4-chloro-2-methylpentyl)-4-(trifluoromethoxy)benzene
CID 64720793
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
[(2S)-3-methyl-1-[4-(trifluoromethoxy)anilino]butan-2-yl]azanide
CID 158447004
3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 60995873

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine (CID 62529892) is N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine is CC(CNC(C)(C)C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is KKZAJKQJELOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(10-19-14(2,3)4)9-12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 62529892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).