1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine

C18H28ClNO — CID 65124555

IUPAC1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)(OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClNO/c1-3-4-15-9-11-18(12-10-15,14-20-2)21-13-16-5-7-17(19)8-6-16/h5-8,15,20H,3-4,9-14H2,1-2H3
InChIKeyPNJDXYOZISIFAT-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.81
Rot. Bonds7

About 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine

1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 65124555) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID65124555
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)(OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClNO/c1-3-4-15-9-11-18(12-10-15,14-20-2)21-13-16-5-7-17(19)8-6-16/h5-8,15,20H,3-4,9-14H2,1-2H3
InChIKeyPNJDXYOZISIFAT-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine (CID 65124555) is 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)(OCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is PNJDXYOZISIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-4-15-9-11-18(12-10-15,14-20-2)21-13-16-5-7-17(19)8-6-16/h5-8,15,20H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine?
1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 65124555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).