1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine

C13H21NO — CID 61412351

IUPAC1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
SMILESCNC(CCOC)c1cc(C)cc(C)c1
InChIInChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)13(14-3)5-6-15-4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyYBDORGANZUTIJR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine

1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine (PubChem CID 61412351) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
PubChem CID61412351
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
SMILESCNC(CCOC)c1cc(C)cc(C)c1
InChIInChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)13(14-3)5-6-15-4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyYBDORGANZUTIJR-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-dimethylphenyl)-3-methoxypropyl]hydrazine
CID 105206512
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346441
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828652
1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031602
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine (CID 61412351) is 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine is CNC(CCOC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is YBDORGANZUTIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)13(14-3)5-6-15-4/h7-9,13-14H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine?
1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 61412351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).