1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine

C16H27NO2 — CID 107892398

IUPAC1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
SMILESCCCC(C)C(C)(N)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-7-12(2)16(3,17)11-13-8-9-14(18-4)15(10-13)19-5/h8-10,12H,6-7,11,17H2,1-5H3
InChIKeyFZCWASYYINQBCR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.40
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine

1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine (PubChem CID 107892398) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
PubChem CID107892398
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
SMILESCCCC(C)C(C)(N)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-7-12(2)16(3,17)11-13-8-9-14(18-4)15(10-13)19-5/h8-10,12H,6-7,11,17H2,1-5H3
InChIKeyFZCWASYYINQBCR-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
CID 135313299
1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
CID 82987406
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383072
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
4-(3-bromohexyl)-1,2-dimethoxybenzene
CID 64506935
4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
4-amino-3-[(3,4-dimethoxyphenyl)methyl]-3-methylhexan-1-ol
CID 66089148

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine (CID 107892398) is 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine is CCCC(C)C(C)(N)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine?
The InChIKey is FZCWASYYINQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-7-12(2)16(3,17)11-13-8-9-14(18-4)15(10-13)19-5/h8-10,12H,6-7,11,17H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine?
1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine is sourced from PubChem (CID 107892398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).