2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine

C16H27NO2 — CID 116931204

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(OC)c(OC)cc1C)C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)14(10-17-4)8-13-9-16(19-6)15(18-5)7-12(13)3/h7,9,11,14,17H,8,10H2,1-6H3
InChIKeyOUJDCWCASRFARU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds7

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine

2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 116931204) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID116931204
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(OC)c(OC)cc1C)C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)14(10-17-4)8-13-9-16(19-6)15(18-5)7-12(13)3/h7,9,11,14,17H,8,10H2,1-6H3
InChIKeyOUJDCWCASRFARU-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931174
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931184
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol
CID 116931006
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
CID 116931239
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202575

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine (CID 116931204) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine is CNCC(Cc1cc(OC)c(OC)cc1C)C(C)C.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is OUJDCWCASRFARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)14(10-17-4)8-13-9-16(19-6)15(18-5)7-12(13)3/h7,9,11,14,17H,8,10H2,1-6H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116931204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).