1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine

C16H27NO2 — CID 62678421

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-8-16(3,4)15(17-5)12-10-14(19-7)13(18-6)9-11(12)2/h9-10,15,17H,8H2,1-7H3
InChIKeyDJFVXEYOVAYWDC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.71
Rot. Bonds6

About 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 62678421) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID62678421
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-8-16(3,4)15(17-5)12-10-14(19-7)13(18-6)9-11(12)2/h9-10,15,17H,8H2,1-7H3
InChIKeyDJFVXEYOVAYWDC-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 63507198
1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
CID 105032908
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine (CID 62678421) is 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine is CCC(C)(C)C(NC)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is DJFVXEYOVAYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-8-16(3,4)15(17-5)12-10-14(19-7)13(18-6)9-11(12)2/h9-10,15,17H,8H2,1-7H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine?
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 62678421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).