1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine

C24H27NO3 — CID 54803840

IUPAC1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2cccc(C)c2)c1OCCOc1ccccc1
InChIInChI=1S/C24H27NO3/c1-19-8-6-9-20(16-19)17-25-18-21-10-7-13-23(26-2)24(21)28-15-14-27-22-11-4-3-5-12-22/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyJVASCJZRNANAJE-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.75
Rot. Bonds10

About 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine

1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 54803840) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
PubChem CID54803840
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2cccc(C)c2)c1OCCOc1ccccc1
InChIInChI=1S/C24H27NO3/c1-19-8-6-9-20(16-19)17-25-18-21-10-7-13-23(26-2)24(21)28-15-14-27-22-11-4-3-5-12-22/h3-13,16,25H,14-15,17-18H2,1-2H3
InChIKeyJVASCJZRNANAJE-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
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

N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527797
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
CID 82097699
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine (CID 54803840) is 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine is COc1cccc(CNCc2cccc(C)c2)c1OCCOc1ccccc1.
What is the InChIKey of 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is JVASCJZRNANAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-19-8-6-9-20(16-19)17-25-18-21-10-7-13-23(26-2)24(21)28-15-14-27-22-11-4-3-5-12-22/h3-13,16,25H,14-15,17-18H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine?
1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 377.48 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 54803840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).