N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine

C29H34FNO — CID 58923743

IUPACN,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine
SMILESFc1ccccc1OCCC1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C29H34FNO/c30-28-13-7-8-14-29(28)32-20-19-24-15-17-27(18-16-24)23-31(21-25-9-3-1-4-10-25)22-26-11-5-2-6-12-26/h1-14,24,27H,15-23H2
InChIKeyOLQVJLPLUDBXGU-UHFFFAOYSA-N
MW431.60 g/mol
LogP7.10
Rot. Bonds10

About N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine

N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine (PubChem CID 58923743) has the molecular formula C29H34FNO and a molecular weight of 431.60 g/mol. Its IUPAC name is N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine
PubChem CID58923743
Molecular FormulaC29H34FNO
Molecular Weight431.60 g/mol
Exact Mass431.26
IUPAC NameN,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine
SMILESFc1ccccc1OCCC1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C29H34FNO/c30-28-13-7-8-14-29(28)32-20-19-24-15-17-27(18-16-24)23-31(21-25-9-3-1-4-10-25)22-26-11-5-2-6-12-26/h1-14,24,27H,15-23H2
InChIKeyOLQVJLPLUDBXGU-UHFFFAOYSA-N
XLogP7.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine?
The IUPAC name of N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine (CID 58923743) is N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine?
The canonical SMILES for N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine is Fc1ccccc1OCCC1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine?
The InChIKey is OLQVJLPLUDBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FNO/c30-28-13-7-8-14-29(28)32-20-19-24-15-17-27(18-16-24)23-31(21-25-9-3-1-4-10-25)22-26-11-5-2-6-12-26/h1-14,24,27H,15-23H2.
What are the key properties of N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine?
N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine has a molecular weight of 431.60 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 58923743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).