(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine

C15H25NO2 — CID 171215923

IUPAC(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-12(16)15-13(17-3)9-11(2)10-14(15)18-4/h9-10,12H,5-8,16H2,1-4H3/t12-/m1/s1
InChIKeyUOTMFAFYPDWOAW-GFCCVEGCSA-N
MW251.37 g/mol
LogP3.59
Rot. Bonds7

About (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine

(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine (PubChem CID 171215923) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
PubChem CID171215923
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-12(16)15-13(17-3)9-11(2)10-14(15)18-4/h9-10,12H,5-8,16H2,1-4H3/t12-/m1/s1
InChIKeyUOTMFAFYPDWOAW-GFCCVEGCSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 171235561
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine (CID 171215923) is (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine is CCCCC[C@@H](N)c1c(OC)cc(C)cc1OC.
What is the InChIKey of (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine?
The InChIKey is UOTMFAFYPDWOAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-7-8-12(16)15-13(17-3)9-11(2)10-14(15)18-4/h9-10,12H,5-8,16H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine?
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine is sourced from PubChem (CID 171215923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).