2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine

C14H23NO — CID 82286744

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1c(C)cc(C(C)(C)CN)c(C)c1C
InChIInChI=1S/C14H23NO/c1-9-7-12(14(4,5)8-15)10(2)11(3)13(9)16-6/h7H,8,15H2,1-6H3
InChIKeyAHTDCPDFXVXYBO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine

2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine (PubChem CID 82286744) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
PubChem CID82286744
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1c(C)cc(C(C)(C)CN)c(C)c1C
InChIInChI=1S/C14H23NO/c1-9-7-12(14(4,5)8-15)10(2)11(3)13(9)16-6/h7H,8,15H2,1-6H3
InChIKeyAHTDCPDFXVXYBO-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
CID 82290788
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine (CID 82286744) is 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine is COc1c(C)cc(C(C)(C)CN)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine?
The InChIKey is AHTDCPDFXVXYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-7-12(14(4,5)8-15)10(2)11(3)13(9)16-6/h7H,8,15H2,1-6H3.
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine?
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 82286744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).