1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride

C12H20ClNO — CID 170889680

IUPAC1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(C)ccc1OC.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-11(13)8-10-7-9(2)5-6-12(10)14-3;/h5-7,11H,4,8,13H2,1-3H3;1H
InChIKeyTZIQXFCFTQIMEX-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride

1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride (PubChem CID 170889680) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
PubChem CID170889680
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(C)ccc1OC.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-11(13)8-10-7-9(2)5-6-12(10)14-3;/h5-7,11H,4,8,13H2,1-3H3;1H
InChIKeyTZIQXFCFTQIMEX-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
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1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
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1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
1-[(2-methoxy-5-methylphenyl)methylsulfonyl]butan-2-amine
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4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride (CID 170889680) is 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride is CCC(N)Cc1cc(C)ccc1OC.Cl.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride?
The InChIKey is TZIQXFCFTQIMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-4-11(13)8-10-7-9(2)5-6-12(10)14-3;/h5-7,11H,4,8,13H2,1-3H3;1H.
What are the key properties of 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride?
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).