1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

C18H23NO — CID 115952132

IUPAC1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-16(10-15(13)3)12-20-18-14(2)6-5-7-17(18)11-19-4/h5-10,19H,11-12H2,1-4H3
InChIKeyWOJSVXULYQSETQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952132) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID115952132
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-16(10-15(13)3)12-20-18-14(2)6-5-7-17(18)11-19-4/h5-10,19H,11-12H2,1-4H3
InChIKeyWOJSVXULYQSETQ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
1-[3-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60889550
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (CID 115952132) is 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is WOJSVXULYQSETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-8-9-16(10-15(13)3)12-20-18-14(2)6-5-7-17(18)11-19-4/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).