1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine

C16H27NO — CID 112754817

IUPAC1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
SMILESCNC(CCCCOC)Cc1cc(C)ccc1C
InChIInChI=1S/C16H27NO/c1-13-8-9-14(2)15(11-13)12-16(17-3)7-5-6-10-18-4/h8-9,11,16-17H,5-7,10,12H2,1-4H3
InChIKeyZZAJWHVIXXVHJQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.25
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine

1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine (PubChem CID 112754817) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
PubChem CID112754817
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
SMILESCNC(CCCCOC)Cc1cc(C)ccc1C
InChIInChI=1S/C16H27NO/c1-13-8-9-14(2)15(11-13)12-16(17-3)7-5-6-10-18-4/h8-9,11,16-17H,5-7,10,12H2,1-4H3
InChIKeyZZAJWHVIXXVHJQ-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
1-(2,5-dimethylphenyl)-N-methylnon-8-en-2-amine
CID 107011687
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
CID 114977590
1-(2,5-dimethylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135800
[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
CID 105377808
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 63420181
1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715583

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine (CID 112754817) is 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine is CNC(CCCCOC)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine?
The InChIKey is ZZAJWHVIXXVHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-8-9-14(2)15(11-13)12-16(17-3)7-5-6-10-18-4/h8-9,11,16-17H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine?
1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 112754817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).