N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine

C16H24F3NO — CID 81022570

IUPACN-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-14(2,3)20-10-9-15(4,5)12-7-6-8-13(11-12)21-16(17,18)19/h6-8,11,20H,9-10H2,1-5H3
InChIKeyABOJAMGRVKILBV-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.64
Rot. Bonds5

About N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine

N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 81022570) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID81022570
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-14(2,3)20-10-9-15(4,5)12-7-6-8-13(11-12)21-16(17,18)19/h6-8,11,20H,9-10H2,1-5H3
InChIKeyABOJAMGRVKILBV-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81021954
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
tert-butyl 3,3-bis[3-(trifluoromethoxy)phenyl]-4-(3,3,3-trifluoropropylamino)butanoate
CID 59192778
4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 55131912
1-(3-methylpenta-1,4-dien-3-yl)-3-(trifluoromethoxy)benzene
CID 169282369
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897
N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 107290764
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
N-tert-butyl-2-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81012434
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butan-1-amine
CID 123725264
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine (CID 81022570) is N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine is CC(C)(C)NCCC(C)(C)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is ABOJAMGRVKILBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-14(2,3)20-10-9-15(4,5)12-7-6-8-13(11-12)21-16(17,18)19/h6-8,11,20H,9-10H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine?
N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 81022570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).