5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine

C24H38F6N2O — CID 134350848

IUPAC5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine
SMILESCOc1ccc(CNC(C)(CC(C)(C)CNC(C)(CC(C)(C)C)C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H38F6N2O/c1-19(2,3)14-21(6,23(25,26)27)32-16-20(4,5)15-22(7,24(28,29)30)31-13-17-9-11-18(33-8)12-10-17/h9-12,31-32H,13-16H2,1-8H3
InChIKeyDRFZQBAEPHOESX-UHFFFAOYSA-N
MW484.57 g/mol
LogP6.87
Rot. Bonds10

About 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine

5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine (PubChem CID 134350848) has the molecular formula C24H38F6N2O and a molecular weight of 484.57 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine
PubChem CID134350848
Molecular FormulaC24H38F6N2O
Molecular Weight484.57 g/mol
Exact Mass484.29
IUPAC Name5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine
SMILESCOc1ccc(CNC(C)(CC(C)(C)CNC(C)(CC(C)(C)C)C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H38F6N2O/c1-19(2,3)14-21(6,23(25,26)27)32-16-20(4,5)15-22(7,24(28,29)30)31-13-17-9-11-18(33-8)12-10-17/h9-12,31-32H,13-16H2,1-8H3
InChIKeyDRFZQBAEPHOESX-UHFFFAOYSA-N
XLogP6.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
1-chloro-N-[(4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026790
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 71604916
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 100979816
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 67982847

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine?
The IUPAC name of 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine (CID 134350848) is 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine?
The canonical SMILES for 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine is COc1ccc(CNC(C)(CC(C)(C)CNC(C)(CC(C)(C)C)C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine?
The InChIKey is DRFZQBAEPHOESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F6N2O/c1-19(2,3)14-21(6,23(25,26)27)32-16-20(4,5)15-22(7,24(28,29)30)31-13-17-9-11-18(33-8)12-10-17/h9-12,31-32H,13-16H2,1-8H3.
What are the key properties of 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine?
5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine has a molecular weight of 484.57 g/mol, XLogP of 6.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 134350848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).