2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine

C24H33NO2 — CID 12779939

IUPAC2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine
SMILESCOc1ccc(CCNCC(c2ccccc2)C2CCCCC2)cc1OC
InChIInChI=1S/C24H33NO2/c1-26-23-14-13-19(17-24(23)27-2)15-16-25-18-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-6,9-10,13-14,17,21-22,25H,4,7-8,11-12,15-16,18H2,1-2H3
InChIKeyWVULSEFPLGCOKE-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.20
Rot. Bonds9

About 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine

2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine (PubChem CID 12779939) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine
PubChem CID12779939
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine
SMILESCOc1ccc(CCNCC(c2ccccc2)C2CCCCC2)cc1OC
InChIInChI=1S/C24H33NO2/c1-26-23-14-13-19(17-24(23)27-2)15-16-25-18-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-6,9-10,13-14,17,21-22,25H,4,7-8,11-12,15-16,18H2,1-2H3
InChIKeyWVULSEFPLGCOKE-UHFFFAOYSA-N
XLogP5.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine?
The IUPAC name of 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine (CID 12779939) is 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine?
The canonical SMILES for 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine is COc1ccc(CCNCC(c2ccccc2)C2CCCCC2)cc1OC.
What is the InChIKey of 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine?
The InChIKey is WVULSEFPLGCOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-26-23-14-13-19(17-24(23)27-2)15-16-25-18-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-6,9-10,13-14,17,21-22,25H,4,7-8,11-12,15-16,18H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine?
2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine has a molecular weight of 367.53 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 12779939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).