N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine

C27H36F3N — CID 70241839

IUPACN-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
SMILESCC(C)N(CCc1ccccc1)C(C)CCc1ccc(C2CCCC2C(F)(F)F)cc1
InChIInChI=1S/C27H36F3N/c1-20(2)31(19-18-22-8-5-4-6-9-22)21(3)12-13-23-14-16-24(17-15-23)25-10-7-11-26(25)27(28,29)30/h4-6,8-9,14-17,20-21,25-26H,7,10-13,18-19H2,1-3H3
InChIKeyJYYHRIVDRNUUON-UHFFFAOYSA-N
MW431.59 g/mol
LogP7.41
Rot. Bonds9

About N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine

N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine (PubChem CID 70241839) has the molecular formula C27H36F3N and a molecular weight of 431.59 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
PubChem CID70241839
Molecular FormulaC27H36F3N
Molecular Weight431.59 g/mol
Exact Mass431.28
IUPAC NameN-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
SMILESCC(C)N(CCc1ccccc1)C(C)CCc1ccc(C2CCCC2C(F)(F)F)cc1
InChIInChI=1S/C27H36F3N/c1-20(2)31(19-18-22-8-5-4-6-9-22)21(3)12-13-23-14-16-24(17-15-23)25-10-7-11-26(25)27(28,29)30/h4-6,8-9,14-17,20-21,25-26H,7,10-13,18-19H2,1-3H3
InChIKeyJYYHRIVDRNUUON-UHFFFAOYSA-N
XLogP7.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.59
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylethyl)-N-propan-2-yl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70244106
4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238912
acetonitrile;N-(2-phenylethyl)-N-propyl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242722
N-(2-phenylethyl)-N-propyl-3-[4-[2-(trifluoromethyl)cyclohexyl]phenyl]propan-1-amine
CID 70242553
N-(2-phenylethyl)-N-propan-2-yl-3-[4-[2-(trifluoromethyl)cyclobutyl]phenyl]propan-1-amine
CID 70242679
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238961
1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70241618
N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70241789
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242993
acetonitrile;4-[4-(3,4-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70242785
acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine?
The IUPAC name of N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine (CID 70241839) is N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine?
The canonical SMILES for N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine is CC(C)N(CCc1ccccc1)C(C)CCc1ccc(C2CCCC2C(F)(F)F)cc1.
What is the InChIKey of N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine?
The InChIKey is JYYHRIVDRNUUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N/c1-20(2)31(19-18-22-8-5-4-6-9-22)21(3)12-13-23-14-16-24(17-15-23)25-10-7-11-26(25)27(28,29)30/h4-6,8-9,14-17,20-21,25-26H,7,10-13,18-19H2,1-3H3.
What are the key properties of N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine?
N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine has a molecular weight of 431.59 g/mol, XLogP of 7.41, 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-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine is sourced from PubChem (CID 70241839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).