N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine

C24H27NO2 — CID 1378292

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine
SMILESCOc1cc(CN(C)CCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H27NO2/c1-25(16-15-20-9-5-3-6-10-20)18-22-13-14-23(24(17-22)26-2)27-19-21-11-7-4-8-12-21/h3-14,17H,15-16,18-19H2,1-2H3
InChIKeyYYDFKGJINPKQQQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.95
Rot. Bonds9

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine (PubChem CID 1378292) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine
PubChem CID1378292
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine
SMILESCOc1cc(CN(C)CCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H27NO2/c1-25(16-15-20-9-5-3-6-10-20)18-22-13-14-23(24(17-22)26-2)27-19-21-11-7-4-8-12-21/h3-14,17H,15-16,18-19H2,1-2H3
InChIKeyYYDFKGJINPKQQQ-UHFFFAOYSA-N
XLogP4.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine (CID 1378292) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine is COc1cc(CN(C)CCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
The InChIKey is YYDFKGJINPKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-25(16-15-20-9-5-3-6-10-20)18-22-13-14-23(24(17-22)26-2)27-19-21-11-7-4-8-12-21/h3-14,17H,15-16,18-19H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine has a molecular weight of 361.49 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 1378292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).