1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine

C15H25NO — CID 114246284

IUPAC1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
SMILESCCCCC(C)C(NC)c1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-6-9-12(2)15(16-3)13-10-7-8-11-14(13)17-4/h7-8,10-12,15-16H,5-6,9H2,1-4H3
InChIKeyMTVQYDXTTNEBKR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds7

About 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine

1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine (PubChem CID 114246284) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
PubChem CID114246284
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
SMILESCCCCC(C)C(NC)c1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-6-9-12(2)15(16-3)13-10-7-8-11-14(13)17-4/h7-8,10-12,15-16H,5-6,9H2,1-4H3
InChIKeyMTVQYDXTTNEBKR-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 43589022
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
1-(1-ethoxypentyl)-2-methoxybenzene
CID 141341766
2-(2-methoxyphenyl)hexan-1-amine
CID 84753039

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine (CID 114246284) is 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine is CCCCC(C)C(NC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine?
The InChIKey is MTVQYDXTTNEBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-9-12(2)15(16-3)13-10-7-8-11-14(13)17-4/h7-8,10-12,15-16H,5-6,9H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine?
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine is sourced from PubChem (CID 114246284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).