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

C24H27NO2 — CID 54803600

IUPAC1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccccc2C)c1OCCc1ccccc1
InChIInChI=1S/C24H27NO2/c1-19-9-6-7-12-21(19)17-25-18-22-13-8-14-23(26-2)24(22)27-16-15-20-10-4-3-5-11-20/h3-14,25H,15-18H2,1-2H3
InChIKeyOOENPUXIDJRKEI-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.91
Rot. Bonds9

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

1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 54803600) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
PubChem CID54803600
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccccc2C)c1OCCc1ccccc1
InChIInChI=1S/C24H27NO2/c1-19-9-6-7-12-21(19)17-25-18-22-13-8-14-23(26-2)24(22)27-16-15-20-10-4-3-5-11-20/h3-14,25H,15-18H2,1-2H3
InChIKeyOOENPUXIDJRKEI-UHFFFAOYSA-N
XLogP4.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
CID 70269096
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807813
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 54803840
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 39455826
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine (CID 54803600) is 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine is COc1cccc(CNCc2ccccc2C)c1OCCc1ccccc1.
What is the InChIKey of 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is OOENPUXIDJRKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-19-9-6-7-12-21(19)17-25-18-22-13-8-14-23(26-2)24(22)27-16-15-20-10-4-3-5-11-20/h3-14,25H,15-18H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 361.49 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 54803600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).