1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine

C22H26ClN — CID 142942253

IUPAC1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1C1CCC(=CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN/c1-24-16-20-4-2-3-5-22(20)19-12-8-17(9-13-19)6-7-18-10-14-21(23)15-11-18/h2-6,10-11,14-15,19,24H,7-9,12-13,16H2,1H3/b17-6-
InChIKeyWICABVOPLATJTA-FMQZQXMHSA-N
MW339.91 g/mol
LogP5.89
Rot. Bonds5

About 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine

1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine (PubChem CID 142942253) has the molecular formula C22H26ClN and a molecular weight of 339.91 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine
PubChem CID142942253
Molecular FormulaC22H26ClN
Molecular Weight339.91 g/mol
Exact Mass339.18
IUPAC Name1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1C1CCC(=CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN/c1-24-16-20-4-2-3-5-22(20)19-12-8-17(9-13-19)6-7-18-10-14-21(23)15-11-18/h2-6,10-11,14-15,19,24H,7-9,12-13,16H2,1H3/b17-6-
InChIKeyWICABVOPLATJTA-FMQZQXMHSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine (CID 142942253) is 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine is CNCc1ccccc1C1CCC(=CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine?
The InChIKey is WICABVOPLATJTA-FMQZQXMHSA-N. The full InChI is InChI=1S/C22H26ClN/c1-24-16-20-4-2-3-5-22(20)19-12-8-17(9-13-19)6-7-18-10-14-21(23)15-11-18/h2-6,10-11,14-15,19,24H,7-9,12-13,16H2,1H3/b17-6-.
What are the key properties of 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine?
1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine has a molecular weight of 339.91 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 142942253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).