2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine

C14H23NO — CID 115259147

IUPAC2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
SMILESCOCNCC(C)(C)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-11-6-7-13(12(2)8-11)14(3,4)9-15-10-16-5/h6-8,15H,9-10H2,1-5H3
InChIKeyJQJWSAYFIVFWAS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.77
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine

2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine (PubChem CID 115259147) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
PubChem CID115259147
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
SMILESCOCNCC(C)(C)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-11-6-7-13(12(2)8-11)14(3,4)9-15-10-16-5/h6-8,15H,9-10H2,1-5H3
InChIKeyJQJWSAYFIVFWAS-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259192
3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214414
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
(E)-4-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237403
1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene
CID 170152443
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118559
2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
CID 115138395

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine (CID 115259147) is 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine is COCNCC(C)(C)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
The InChIKey is JQJWSAYFIVFWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-6-7-13(12(2)8-11)14(3,4)9-15-10-16-5/h6-8,15H,9-10H2,1-5H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine?
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115259147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).