4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride

C12H20ClNO2 — CID 171222672

IUPAC4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
SMILESCCC(C)[C@H](N)c1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-8(2)12(13)9-5-6-10(14)11(7-9)15-3;/h5-8,12,14H,4,13H2,1-3H3;1H/t8?,12-;/m0./s1
InChIKeyLTZQVHKCGILVNM-COSMAPIXSA-N
MW245.75 g/mol
LogP2.87
Rot. Bonds4

About 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride

4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride (PubChem CID 171222672) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
PubChem CID171222672
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
SMILESCCC(C)[C@H](N)c1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-8(2)12(13)9-5-6-10(14)11(7-9)15-3;/h5-8,12,14H,4,13H2,1-3H3;1H/t8?,12-;/m0./s1
InChIKeyLTZQVHKCGILVNM-COSMAPIXSA-N
XLogP2.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[(1S)-1-amino-2-methylbutyl]-2-methylphenol;hydrochloride
CID 171232746
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride (CID 171222672) is 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride is CCC(C)[C@H](N)c1ccc(O)c(OC)c1.Cl.
What is the InChIKey of 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride?
The InChIKey is LTZQVHKCGILVNM-COSMAPIXSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-4-8(2)12(13)9-5-6-10(14)11(7-9)15-3;/h5-8,12,14H,4,13H2,1-3H3;1H/t8?,12-;/m0./s1.
What are the key properties of 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride?
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 171222672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).