1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride

C10H16ClNO2 — CID 155822229

IUPAC1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(C)O)ccc1N.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-7-5-9(3-4-10(7)11)13-6-8(2)12;/h3-5,8,12H,6,11H2,1-2H3;1H
InChIKeySICSCLPWADWHBY-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.76
Rot. Bonds3

About 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride

1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride (PubChem CID 155822229) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride
PubChem CID155822229
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(C)O)ccc1N.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-7-5-9(3-4-10(7)11)13-6-8(2)12;/h3-5,8,12H,6,11H2,1-2H3;1H
InChIKeySICSCLPWADWHBY-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-bromo-3-methylphenoxy)propan-2-ol
CID 106933180
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
4-(methoxymethoxy)-2-methylaniline
CID 14883323
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
1-(4-aminophenoxy)-3-(4-bromo-3-methylphenoxy)propan-2-ol
CID 83135640
2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride (CID 155822229) is 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride is Cc1cc(OCC(C)O)ccc1N.Cl.
What is the InChIKey of 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is SICSCLPWADWHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-7-5-9(3-4-10(7)11)13-6-8(2)12;/h3-5,8,12H,6,11H2,1-2H3;1H.
What are the key properties of 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride?
1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 155822229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).