N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine

C25H32F3N — CID 70242679

IUPACN-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine
SMILESCC(C)N(CCCc1ccc(C2CCC2C(F)(F)F)cc1)CCc1ccccc1
InChIInChI=1S/C25H32F3N/c1-19(2)29(18-16-20-7-4-3-5-8-20)17-6-9-21-10-12-22(13-11-21)23-14-15-24(23)25(26,27)28/h3-5,7-8,10-13,19,23-24H,6,9,14-18H2,1-2H3
InChIKeyPHAHEEXPDBPBHV-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.63
Rot. Bonds9

About N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine

N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine (PubChem CID 70242679) has the molecular formula C25H32F3N and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine
PubChem CID70242679
Molecular FormulaC25H32F3N
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC NameN-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine
SMILESCC(C)N(CCCc1ccc(C2CCC2C(F)(F)F)cc1)CCc1ccccc1
InChIInChI=1S/C25H32F3N/c1-19(2)29(18-16-20-7-4-3-5-8-20)17-6-9-21-10-12-22(13-11-21)23-14-15-24(23)25(26,27)28/h3-5,7-8,10-13,19,23-24H,6,9,14-18H2,1-2H3
InChIKeyPHAHEEXPDBPBHV-UHFFFAOYSA-N
XLogP6.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine with MolForge

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Related Compounds

3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
CID 70241891
acetonitrile;N-(2-phenylethyl)-N-propan-2-yl-3-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]propan-1-amine
CID 70242560
N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
CID 70241839
N-(2-phenylethyl)-N-propyl-3-[4-[2-(trifluoromethyl)cyclohexyl]phenyl]propan-1-amine
CID 70242553
acetonitrile;3-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
CID 70242952
acetonitrile;3-[4-(4-chlorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
CID 70239051
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70244106
acetonitrile;N-(2-phenylethyl)-N-propyl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242722
N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine
CID 70244102
acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107
N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine
CID 70243226
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile
CID 154428253

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine?
The IUPAC name of N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine (CID 70242679) is N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine.
What is the SMILES notation for N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine?
The canonical SMILES for N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine is CC(C)N(CCCc1ccc(C2CCC2C(F)(F)F)cc1)CCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine?
The InChIKey is PHAHEEXPDBPBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N/c1-19(2)29(18-16-20-7-4-3-5-8-20)17-6-9-21-10-12-22(13-11-21)23-14-15-24(23)25(26,27)28/h3-5,7-8,10-13,19,23-24H,6,9,14-18H2,1-2H3.
What are the key properties of N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine?
N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine has a molecular weight of 403.53 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine is sourced from PubChem (CID 70242679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).