2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride

C10H16ClNO2 — CID 171235918

IUPAC2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
SMILESCC[C@H](N)c1c(O)cccc1OC.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-7(11)10-8(12)5-4-6-9(10)13-2;/h4-7,12H,3,11H2,1-2H3;1H/t7-;/m0./s1
InChIKeyHOSKXNZLQRFICI-FJXQXJEOSA-N
MW217.70 g/mol
LogP2.23
Rot. Bonds3

About 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride

2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride (PubChem CID 171235918) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
PubChem CID171235918
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
SMILESCC[C@H](N)c1c(O)cccc1OC.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-7(11)10-8(12)5-4-6-9(10)13-2;/h4-7,12H,3,11H2,1-2H3;1H/t7-;/m0./s1
InChIKeyHOSKXNZLQRFICI-FJXQXJEOSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
CID 171216291
2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
CID 171216328
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-methoxyphenol;hydrochloride
CID 171271799
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
CID 171257502
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride (CID 171235918) is 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride is CC[C@H](N)c1c(O)cccc1OC.Cl.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride?
The InChIKey is HOSKXNZLQRFICI-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-3-7(11)10-8(12)5-4-6-9(10)13-2;/h4-7,12H,3,11H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride?
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171235918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).