3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine

C16H27NO2 — CID 112517349

IUPAC3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine
SMILESCOc1ccc(C(CCN)C(C)(C)C)c(OC)c1C
InChIInChI=1S/C16H27NO2/c1-11-14(18-5)8-7-12(15(11)19-6)13(9-10-17)16(2,3)4/h7-8,13H,9-10,17H2,1-6H3
InChIKeyHMVVMARTQIEQBQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.49
Rot. Bonds5

About 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine

3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine (PubChem CID 112517349) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine
PubChem CID112517349
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine
SMILESCOc1ccc(C(CCN)C(C)(C)C)c(OC)c1C
InChIInChI=1S/C16H27NO2/c1-11-14(18-5)8-7-12(15(11)19-6)13(9-10-17)16(2,3)4/h7-8,13H,9-10,17H2,1-6H3
InChIKeyHMVVMARTQIEQBQ-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933582
1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518914
2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid
CID 116945089
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 116932842
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine (CID 112517349) is 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine is COc1ccc(C(CCN)C(C)(C)C)c(OC)c1C.
What is the InChIKey of 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine?
The InChIKey is HMVVMARTQIEQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11-14(18-5)8-7-12(15(11)19-6)13(9-10-17)16(2,3)4/h7-8,13H,9-10,17H2,1-6H3.
What are the key properties of 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine?
3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 112517349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).