1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

C17H21NO2 — CID 115952135

IUPAC1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1ccccc1OC
InChIInChI=1S/C17H21NO2/c1-13-7-6-9-14(11-18-2)17(13)20-12-15-8-4-5-10-16(15)19-3/h4-10,18H,11-12H2,1-3H3
InChIKeyIMFZWPYGYPIEMA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952135) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID115952135
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1ccccc1OC
InChIInChI=1S/C17H21NO2/c1-13-7-6-9-14(11-18-2)17(13)20-12-15-8-4-5-10-16(15)19-3/h4-10,18H,11-12H2,1-3H3
InChIKeyIMFZWPYGYPIEMA-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952132
1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952256
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
2-fluoro-3-[[2-methyl-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107114294
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (CID 115952135) is 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCc1ccccc1OC.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is IMFZWPYGYPIEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-7-6-9-14(11-18-2)17(13)20-12-15-8-4-5-10-16(15)19-3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).