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

C26H36FN — CID 70243837

IUPACN-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1ccccc1)C(C)CCc1ccc(C2CCCCC2F)cc1
InChIInChI=1S/C26H36FN/c1-3-19-28(20-23-9-5-4-6-10-23)21(2)13-14-22-15-17-24(18-16-22)25-11-7-8-12-26(25)27/h4-6,9-10,15-18,21,25-26H,3,7-8,11-14,19-20H2,1-2H3
InChIKeyYDGQDECJDVSPBQ-UHFFFAOYSA-N
MW381.58 g/mol
LogP6.92
Rot. Bonds9

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

N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine (PubChem CID 70243837) has the molecular formula C26H36FN and a molecular weight of 381.58 g/mol. Its IUPAC name is N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
PubChem CID70243837
Molecular FormulaC26H36FN
Molecular Weight381.58 g/mol
Exact Mass381.28
IUPAC NameN-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1ccccc1)C(C)CCc1ccc(C2CCCCC2F)cc1
InChIInChI=1S/C26H36FN/c1-3-19-28(20-23-9-5-4-6-10-23)21(2)13-14-22-15-17-24(18-16-22)25-11-7-8-12-26(25)27/h4-6,9-10,15-18,21,25-26H,3,7-8,11-14,19-20H2,1-2H3
InChIKeyYDGQDECJDVSPBQ-UHFFFAOYSA-N
XLogP6.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.58
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
CID 70238656
acetonitrile;N-benzyl-1-[4-(2-fluorocyclohexyl)phenyl]-N-propylpentan-3-amine
CID 70243681
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
N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine
CID 70244066
acetonitrile;N-benzyl-1-[4-(2-fluorocyclopentyl)phenyl]-N-methylpentan-3-amine
CID 70244067
N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
CID 70241559
N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241233
N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70241789
acetonitrile;N-benzyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-methylpropan-1-amine
CID 70243217
acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107
N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
CID 24988040

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine?
The IUPAC name of N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine (CID 70243837) is N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine?
The canonical SMILES for N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine is CCCN(Cc1ccccc1)C(C)CCc1ccc(C2CCCCC2F)cc1.
What is the InChIKey of N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine?
The InChIKey is YDGQDECJDVSPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN/c1-3-19-28(20-23-9-5-4-6-10-23)21(2)13-14-22-15-17-24(18-16-22)25-11-7-8-12-26(25)27/h4-6,9-10,15-18,21,25-26H,3,7-8,11-14,19-20H2,1-2H3.
What are the key properties of N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine?
N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine has a molecular weight of 381.58 g/mol, XLogP of 6.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine is sourced from PubChem (CID 70243837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).