1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

C18H23NO — CID 63322567

IUPAC1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-13-5-6-18(17(10-13)11-19-4)20-12-16-8-14(2)7-15(3)9-16/h5-10,19H,11-12H2,1-4H3
InChIKeyXQLZTCVKTWFWTG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (PubChem CID 63322567) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
PubChem CID63322567
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-13-5-6-18(17(10-13)11-19-4)20-12-16-8-14(2)7-15(3)9-16/h5-10,19H,11-12H2,1-4H3
InChIKeyXQLZTCVKTWFWTG-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-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63325862
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 63323237
2-[4-methyl-2-(methylaminomethyl)phenoxy]acetamide
CID 63322657
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (CID 63322567) is 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1OCc1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The InChIKey is XQLZTCVKTWFWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-5-6-18(17(10-13)11-19-4)20-12-16-8-14(2)7-15(3)9-16/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
1-[2-[(3,5-dimethylphenyl)methoxy]-5-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-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63322567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).