(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine

C11H17NO — CID 59272895

IUPAC(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
SMILESCOc1cc(C)c([C@@H](C)N)cc1C
InChIInChI=1S/C11H17NO/c1-7-6-11(13-4)8(2)5-10(7)9(3)12/h5-6,9H,12H2,1-4H3/t9-/m1/s1
InChIKeyOZJIHEOMAYAIBL-SECBINFHSA-N
MW179.26 g/mol
LogP2.33
Rot. Bonds2

About (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine

(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine (PubChem CID 59272895) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
PubChem CID59272895
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
SMILESCOc1cc(C)c([C@@H](C)N)cc1C
InChIInChI=1S/C11H17NO/c1-7-6-11(13-4)8(2)5-10(7)9(3)12/h5-6,9H,12H2,1-4H3/t9-/m1/s1
InChIKeyOZJIHEOMAYAIBL-SECBINFHSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
CID 105032908
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine?
The IUPAC name of (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine (CID 59272895) is (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine is COc1cc(C)c([C@@H](C)N)cc1C.
What is the InChIKey of (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine?
The InChIKey is OZJIHEOMAYAIBL-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-6-11(13-4)8(2)5-10(7)9(3)12/h5-6,9H,12H2,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine?
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine has a molecular weight of 179.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 59272895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).