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

C24H27NO3 — CID 2169010

IUPAC2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C24H27NO3/c1-26-22-11-7-6-10-21(22)14-15-25-17-20-12-13-23(27-2)24(16-20)28-18-19-8-4-3-5-9-19/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyUMJQMNYMVGJEGV-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.62
Rot. Bonds10

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

2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 2169010) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID2169010
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C24H27NO3/c1-26-22-11-7-6-10-21(22)14-15-25-17-20-12-13-23(27-2)24(16-20)28-18-19-8-4-3-5-9-19/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyUMJQMNYMVGJEGV-UHFFFAOYSA-N
XLogP4.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 1712095
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4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CID 9952420
Benzeneethanamine, 3,4-bis(phenylmethoxy)-, hydrochloride (1:1)
CID 2723941
4'-O-Methylnorbelladine
CID 253994
Edma
CID 24257269
4-(3-(Benzylamino)butyl)-2-methoxyphenol
CID 562638
Drotaverine Hydrochloride
CID 6437861

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine (CID 2169010) is 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine is COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is UMJQMNYMVGJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-26-22-11-7-6-10-21(22)14-15-25-17-20-12-13-23(27-2)24(16-20)28-18-19-8-4-3-5-9-19/h3-13,16,25H,14-15,17-18H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 377.48 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2169010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).