5-(2-methoxy-6-methylphenyl)heptan-2-amine

C15H25NO — CID 83923910

IUPAC5-(2-methoxy-6-methylphenyl)heptan-2-amine
SMILESCCC(CCC(C)N)c1c(C)cccc1OC
InChIInChI=1S/C15H25NO/c1-5-13(10-9-12(3)16)15-11(2)7-6-8-14(15)17-4/h6-8,12-13H,5,9-10,16H2,1-4H3
InChIKeyPRMMPESQLYQFOO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds6

About 5-(2-methoxy-6-methylphenyl)heptan-2-amine

5-(2-methoxy-6-methylphenyl)heptan-2-amine (PubChem CID 83923910) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(2-methoxy-6-methylphenyl)heptan-2-amine.

Molecular Properties

Compound Name5-(2-methoxy-6-methylphenyl)heptan-2-amine
PubChem CID83923910
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(2-methoxy-6-methylphenyl)heptan-2-amine
SMILESCCC(CCC(C)N)c1c(C)cccc1OC
InChIInChI=1S/C15H25NO/c1-5-13(10-9-12(3)16)15-11(2)7-6-8-14(15)17-4/h6-8,12-13H,5,9-10,16H2,1-4H3
InChIKeyPRMMPESQLYQFOO-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
CID 83923858
3-(2-methoxy-6-methylphenyl)pentyl thiocyanate
CID 112717425
1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
CID 55283458
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
2-amino-1-(2-methoxy-6-methylphenyl)-4-(methylamino)butan-1-ol
CID 83923874
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine
CID 116810773
5-phenylheptan-2-amine
CID 83936540
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
ethyl 4-amino-4-(2,6-dimethoxyphenyl)-2-methylbutanoate
CID 69085588

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-methylphenyl)heptan-2-amine?
The IUPAC name of 5-(2-methoxy-6-methylphenyl)heptan-2-amine (CID 83923910) is 5-(2-methoxy-6-methylphenyl)heptan-2-amine.
What is the SMILES notation for 5-(2-methoxy-6-methylphenyl)heptan-2-amine?
The canonical SMILES for 5-(2-methoxy-6-methylphenyl)heptan-2-amine is CCC(CCC(C)N)c1c(C)cccc1OC.
What is the InChIKey of 5-(2-methoxy-6-methylphenyl)heptan-2-amine?
The InChIKey is PRMMPESQLYQFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(10-9-12(3)16)15-11(2)7-6-8-14(15)17-4/h6-8,12-13H,5,9-10,16H2,1-4H3.
What are the key properties of 5-(2-methoxy-6-methylphenyl)heptan-2-amine?
5-(2-methoxy-6-methylphenyl)heptan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-methylphenyl)heptan-2-amine is sourced from PubChem (CID 83923910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).