1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride

C10H16ClNO — CID 127021057

IUPAC1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
SMILESCOc1cc(C)ccc1C(C)N.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-4-5-9(8(2)11)10(6-7)12-3;/h4-6,8H,11H2,1-3H3;1H
InChIKeyLMZDLNQMYFZLQJ-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride

1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride (PubChem CID 127021057) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
PubChem CID127021057
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
SMILESCOc1cc(C)ccc1C(C)N.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-4-5-9(8(2)11)10(6-7)12-3;/h4-6,8H,11H2,1-3H3;1H
InChIKeyLMZDLNQMYFZLQJ-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride (CID 127021057) is 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride is COc1cc(C)ccc1C(C)N.Cl.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The InChIKey is LMZDLNQMYFZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-7-4-5-9(8(2)11)10(6-7)12-3;/h4-6,8H,11H2,1-3H3;1H.
What are the key properties of 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 127021057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).