N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine

C28H38F3N — CID 70243226

IUPACN-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine
SMILESCCCN(CCc1ccccc1)C(C)CCc1ccc(C2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C28H38F3N/c1-3-20-32(21-19-23-7-5-4-6-8-23)22(2)9-10-24-11-13-25(14-12-24)26-15-17-27(18-16-26)28(29,30)31/h4-8,11-14,22,26-27H,3,9-10,15-21H2,1-2H3
InChIKeyCFDJJPIVNBOHTF-UHFFFAOYSA-N
MW445.61 g/mol
LogP7.80
Rot. Bonds10

About N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine

N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine (PubChem CID 70243226) has the molecular formula C28H38F3N and a molecular weight of 445.61 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine
PubChem CID70243226
Molecular FormulaC28H38F3N
Molecular Weight445.61 g/mol
Exact Mass445.30
IUPAC NameN-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine
SMILESCCCN(CCc1ccccc1)C(C)CCc1ccc(C2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C28H38F3N/c1-3-20-32(21-19-23-7-5-4-6-8-23)22(2)9-10-24-11-13-25(14-12-24)26-15-17-27(18-16-26)28(29,30)31/h4-8,11-14,22,26-27H,3,9-10,15-21H2,1-2H3
InChIKeyCFDJJPIVNBOHTF-UHFFFAOYSA-N
XLogP7.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine with MolForge

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Related Compounds

acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107
N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70242088
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242993
N-(2-phenylethyl)-N-propyl-3-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]propan-1-amine
CID 70238562
acetonitrile;N-(2-phenylethyl)-N-propan-2-yl-3-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]propan-1-amine
CID 70242560
acetonitrile;N-benzyl-N-methyl-4-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
CID 70244167
acetonitrile;N-benzyl-4-[4-(3,4-difluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70243040
N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
CID 70243837
acetonitrile;N-benzyl-N-methyl-3-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]propan-1-amine
CID 70238772
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616
N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine
CID 70242679
acetonitrile;N-(2-phenylethyl)-N-propyl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242722

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine?
The IUPAC name of N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine (CID 70243226) is N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine?
The canonical SMILES for N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine is CCCN(CCc1ccccc1)C(C)CCc1ccc(C2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine?
The InChIKey is CFDJJPIVNBOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F3N/c1-3-20-32(21-19-23-7-5-4-6-8-23)22(2)9-10-24-11-13-25(14-12-24)26-15-17-27(18-16-26)28(29,30)31/h4-8,11-14,22,26-27H,3,9-10,15-21H2,1-2H3.
What are the key properties of N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine?
N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine has a molecular weight of 445.61 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine is sourced from PubChem (CID 70243226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).