1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

C16H25NO2 — CID 103433754

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1OC)C1(C)CCCO1
InChIInChI=1S/C16H25NO2/c1-11-7-8-13(14(18-5)12(11)2)15(17-4)16(3)9-6-10-19-16/h7-8,15,17H,6,9-10H2,1-5H3
InChIKeyMFURSUCHIJPDBP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds4

About 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (PubChem CID 103433754) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
PubChem CID103433754
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1OC)C1(C)CCCO1
InChIInChI=1S/C16H25NO2/c1-11-7-8-13(14(18-5)12(11)2)15(17-4)16(3)9-6-10-19-16/h7-8,15,17H,6,9-10H2,1-5H3
InChIKeyMFURSUCHIJPDBP-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830774
[(2-methoxy-3,4-dimethylphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 103436070
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114939321
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107129013
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 104660580
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 107360044
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435225
[(3,4-dimethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250890

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (CID 103433754) is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is CNC(c1ccc(C)c(C)c1OC)C1(C)CCCO1.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The InChIKey is MFURSUCHIJPDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-8-13(14(18-5)12(11)2)15(17-4)16(3)9-6-10-19-16/h7-8,15,17H,6,9-10H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 103433754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).