1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine

C18H28FNO2 — CID 118926022

IUPAC1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)(COc1ccccc1F)CC1CCCCC1
InChIInChI=1S/C18H28FNO2/c1-20-18(13-21-2,12-15-8-4-3-5-9-15)14-22-17-11-7-6-10-16(17)19/h6-7,10-11,15,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyCTLHKAOPAWJWDG-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.78
Rot. Bonds8

About 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine

1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine (PubChem CID 118926022) has the molecular formula C18H28FNO2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine
PubChem CID118926022
Molecular FormulaC18H28FNO2
Molecular Weight309.42 g/mol
Exact Mass309.21
IUPAC Name1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)(COc1ccccc1F)CC1CCCCC1
InChIInChI=1S/C18H28FNO2/c1-20-18(13-21-2,12-15-8-4-3-5-9-15)14-22-17-11-7-6-10-16(17)19/h6-7,10-11,15,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyCTLHKAOPAWJWDG-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine (CID 118926022) is 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine is CNC(COC)(COc1ccccc1F)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine?
The InChIKey is CTLHKAOPAWJWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-20-18(13-21-2,12-15-8-4-3-5-9-15)14-22-17-11-7-6-10-16(17)19/h6-7,10-11,15,20H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine?
1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2-fluorophenoxy)methyl]-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 118926022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).