N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine

C26H36FN — CID 70242616

IUPACN-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)CC2)cc1
InChIInChI=1S/C26H36FN/c1-20(2)28(19-23-7-5-4-6-8-23)21(3)9-10-22-11-13-24(14-12-22)25-15-17-26(27)18-16-25/h4-8,11-14,20-21,25-26H,9-10,15-19H2,1-3H3
InChIKeyLERUKVHFSARDKP-UHFFFAOYSA-N
MW381.58 g/mol
LogP6.91
Rot. Bonds8

About N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine

N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine (PubChem CID 70242616) has the molecular formula C26H36FN and a molecular weight of 381.58 g/mol. Its IUPAC name is N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
PubChem CID70242616
Molecular FormulaC26H36FN
Molecular Weight381.58 g/mol
Exact Mass381.28
IUPAC NameN-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)CC2)cc1
InChIInChI=1S/C26H36FN/c1-20(2)28(19-23-7-5-4-6-8-23)21(3)9-10-22-11-13-24(14-12-22)25-15-17-26(27)18-16-25/h4-8,11-14,20-21,25-26H,9-10,15-19H2,1-3H3
InChIKeyLERUKVHFSARDKP-UHFFFAOYSA-N
XLogP6.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.58
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70238734
N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70241789
acetonitrile;N-benzyl-4-[4-(2-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243066
N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70242088
acetonitrile;4-[4-(3,4-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70242785
N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241233
N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241311
1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242599
4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238912
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242993
N-(2-phenylethyl)-N-propan-2-yl-4-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
CID 70241839
N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine
CID 70243226

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
The IUPAC name of N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine (CID 70242616) is N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine is CC(C)N(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)CC2)cc1.
What is the InChIKey of N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
The InChIKey is LERUKVHFSARDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN/c1-20(2)28(19-23-7-5-4-6-8-23)21(3)9-10-22-11-13-24(14-12-22)25-15-17-26(27)18-16-25/h4-8,11-14,20-21,25-26H,9-10,15-19H2,1-3H3.
What are the key properties of N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine has a molecular weight of 381.58 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 70242616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).