N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine

C26H35F2N — CID 70238734

IUPACN-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)C(F)C2)cc1
InChIInChI=1S/C26H35F2N/c1-19(2)29(18-22-7-5-4-6-8-22)20(3)9-10-21-11-13-23(14-12-21)24-15-16-25(27)26(28)17-24/h4-8,11-14,19-20,24-26H,9-10,15-18H2,1-3H3
InChIKeyJSVWXAZMLJBPKM-UHFFFAOYSA-N
MW399.57 g/mol
LogP6.86
Rot. Bonds8

About N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine

N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine (PubChem CID 70238734) has the molecular formula C26H35F2N and a molecular weight of 399.57 g/mol. Its IUPAC name is N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
PubChem CID70238734
Molecular FormulaC26H35F2N
Molecular Weight399.57 g/mol
Exact Mass399.27
IUPAC NameN-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)C(F)C2)cc1
InChIInChI=1S/C26H35F2N/c1-19(2)29(18-22-7-5-4-6-8-22)20(3)9-10-21-11-13-23(14-12-21)24-15-16-25(27)26(28)17-24/h4-8,11-14,19-20,24-26H,9-10,15-18H2,1-3H3
InChIKeyJSVWXAZMLJBPKM-UHFFFAOYSA-N
XLogP6.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.57
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616
acetonitrile;4-[4-(3,4-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70242785
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
acetonitrile;N-benzyl-1-[4-(3,4-difluorocyclohexyl)phenyl]-N-methylpentan-3-amine
CID 70241260
1-[4-(3,4-difluorocyclohexyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
CID 70243728
1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242599
N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241233
N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70242088
acetonitrile;N-benzyl-4-[4-(3,4-difluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70243040
3-[4-(3,4-difluorocyclohexyl)phenyl]-N-ethyl-N-(2-phenylethyl)propan-1-amine
CID 70242028
N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
The IUPAC name of N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine (CID 70238734) is N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine is CC(C)N(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)C(F)C2)cc1.
What is the InChIKey of N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
The InChIKey is JSVWXAZMLJBPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F2N/c1-19(2)29(18-22-7-5-4-6-8-22)20(3)9-10-21-11-13-23(14-12-21)24-15-16-25(27)26(28)17-24/h4-8,11-14,19-20,24-26H,9-10,15-18H2,1-3H3.
What are the key properties of N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine?
N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine has a molecular weight of 399.57 g/mol, XLogP of 6.86, 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-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 70238734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).