N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine

C21H26F3N — CID 71049243

IUPACN-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
SMILESCC(C)(C)NCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H26F3N/c1-20(2,3)25-15-5-4-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)21(22,23)24/h7-14,25H,4-6,15H2,1-3H3
InChIKeyRVLNNOUVTNZCKT-UHFFFAOYSA-N
MW349.44 g/mol
LogP6.08
Rot. Bonds6

About N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine

N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine (PubChem CID 71049243) has the molecular formula C21H26F3N and a molecular weight of 349.44 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
PubChem CID71049243
Molecular FormulaC21H26F3N
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
SMILESCC(C)(C)NCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H26F3N/c1-20(2,3)25-15-5-4-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)21(22,23)24/h7-14,25H,4-6,15H2,1-3H3
InChIKeyRVLNNOUVTNZCKT-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 20601070
N-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
1-(1,1-difluoroethyl)-4-(4-octylphenyl)benzene
CID 23188558
N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305552
5-[4-[4-(trifluoromethyl)phenyl]phenyl]pentanal
CID 143082498
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
CID 173105790

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine?
The IUPAC name of N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine (CID 71049243) is N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine is CC(C)(C)NCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine?
The InChIKey is RVLNNOUVTNZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N/c1-20(2,3)25-15-5-4-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)21(22,23)24/h7-14,25H,4-6,15H2,1-3H3.
What are the key properties of N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine?
N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine has a molecular weight of 349.44 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine is sourced from PubChem (CID 71049243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).