2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine

C15H25NO3 — CID 115259192

IUPAC2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
SMILESCOCNCC(C)(C)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C15H25NO3/c1-11-13(18-5)8-7-12(14(11)19-6)15(2,3)9-16-10-17-4/h7-8,16H,9-10H2,1-6H3
InChIKeyIXVKCAVOJIEBJJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.48
Rot. Bonds7

About 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine

2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine (PubChem CID 115259192) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
PubChem CID115259192
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
SMILESCOCNCC(C)(C)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C15H25NO3/c1-11-13(18-5)8-7-12(14(11)19-6)15(2,3)9-16-10-17-4/h7-8,16H,9-10H2,1-6H3
InChIKeyIXVKCAVOJIEBJJ-UHFFFAOYSA-N
XLogP2.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115262577
N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine
CID 115261451
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166846
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257877
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 103434611
1-N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200621

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine (CID 115259192) is 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine is COCNCC(C)(C)c1ccc(OC)c(C)c1OC.
What is the InChIKey of 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
The InChIKey is IXVKCAVOJIEBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-13(18-5)8-7-12(14(11)19-6)15(2,3)9-16-10-17-4/h7-8,16H,9-10H2,1-6H3.
What are the key properties of 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115259192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).