N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine

C20H25F3N2 — CID 20601070

IUPACN'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2/c1-19(2,3)25-13-12-24-14-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(21,22)23/h4-11,24-25H,12-14H2,1-3H3
InChIKeyCQXCLZYXIYITKH-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.85
Rot. Bonds6

About N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine

N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 20601070) has the molecular formula C20H25F3N2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
PubChem CID20601070
Molecular FormulaC20H25F3N2
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2/c1-19(2,3)25-13-12-24-14-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(21,22)23/h4-11,24-25H,12-14H2,1-3H3
InChIKeyCQXCLZYXIYITKH-UHFFFAOYSA-N
XLogP4.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 71049243
2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine
CID 20601064
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
N'-tert-butyl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethane-1,2-diamine
CID 87717111
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 111467443
4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 106844754

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (CID 20601070) is N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is CC(C)(C)NCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is CQXCLZYXIYITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2/c1-19(2,3)25-13-12-24-14-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20(21,22)23/h4-11,24-25H,12-14H2,1-3H3.
What are the key properties of N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 350.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 20601070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).