1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine

C26H34FN — CID 122181702

IUPAC1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine
SMILESCC1CCC(Cc2cccc(CNC3(c4ccccc4F)CCCC3)c2)CC1
InChIInChI=1S/C26H34FN/c1-20-11-13-21(14-12-20)17-22-7-6-8-23(18-22)19-28-26(15-4-5-16-26)24-9-2-3-10-25(24)27/h2-3,6-10,18,20-21,28H,4-5,11-17,19H2,1H3
InChIKeyOPEWIAILISMKIY-UHFFFAOYSA-N
MW379.56 g/mol
LogP6.75
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine

1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine (PubChem CID 122181702) has the molecular formula C26H34FN and a molecular weight of 379.56 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine
PubChem CID122181702
Molecular FormulaC26H34FN
Molecular Weight379.56 g/mol
Exact Mass379.27
IUPAC Name1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine
SMILESCC1CCC(Cc2cccc(CNC3(c4ccccc4F)CCCC3)c2)CC1
InChIInChI=1S/C26H34FN/c1-20-11-13-21(14-12-20)17-22-7-6-8-23(18-22)19-28-26(15-4-5-16-26)24-9-2-3-10-25(24)27/h2-3,6-10,18,20-21,28H,4-5,11-17,19H2,1H3
InChIKeyOPEWIAILISMKIY-UHFFFAOYSA-N
XLogP6.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.56
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine (CID 122181702) is 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine is CC1CCC(Cc2cccc(CNC3(c4ccccc4F)CCCC3)c2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine?
The InChIKey is OPEWIAILISMKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN/c1-20-11-13-21(14-12-20)17-22-7-6-8-23(18-22)19-28-26(15-4-5-16-26)24-9-2-3-10-25(24)27/h2-3,6-10,18,20-21,28H,4-5,11-17,19H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine?
1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine has a molecular weight of 379.56 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[3-[(4-methylcyclohexyl)methyl]phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 122181702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).