1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine

C16H27NO2 — CID 105028971

IUPAC1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-12(2)7-6-8-15(17-3)14-11-13(18-4)9-10-16(14)19-5/h9-12,15,17H,6-8H2,1-5H3
InChIKeyVJWLQCZIIOYYRY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine

1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine (PubChem CID 105028971) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
PubChem CID105028971
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-12(2)7-6-8-15(17-3)14-11-13(18-4)9-10-16(14)19-5/h9-12,15,17H,6-8H2,1-5H3
InChIKeyVJWLQCZIIOYYRY-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
1-(2,5-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981353
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864340
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine (CID 105028971) is 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine is CNC(CCCC(C)C)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is VJWLQCZIIOYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)7-6-8-15(17-3)14-11-13(18-4)9-10-16(14)19-5/h9-12,15,17H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine?
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 105028971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).