[4-(3-aminopropoxy)phenyl]methanol;hydrochloride

C10H16ClNO2 — CID 118916202

IUPAC[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
SMILESCl.NCCCOc1ccc(CO)cc1
InChIInChI=1S/C10H15NO2.ClH/c11-6-1-7-13-10-4-2-9(8-12)3-5-10;/h2-5,12H,1,6-8,11H2;1H
InChIKeyGFGUPUWYJGYHQS-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.33
Rot. Bonds5

About [4-(3-aminopropoxy)phenyl]methanol;hydrochloride

[4-(3-aminopropoxy)phenyl]methanol;hydrochloride (PubChem CID 118916202) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is [4-(3-aminopropoxy)phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
PubChem CID118916202
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
SMILESCl.NCCCOc1ccc(CO)cc1
InChIInChI=1S/C10H15NO2.ClH/c11-6-1-7-13-10-4-2-9(8-12)3-5-10;/h2-5,12H,1,6-8,11H2;1H
InChIKeyGFGUPUWYJGYHQS-UHFFFAOYSA-N
XLogP1.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 64819436
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)phenyl]methanol;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)phenyl]methanol;hydrochloride (CID 118916202) is [4-(3-aminopropoxy)phenyl]methanol;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)phenyl]methanol;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)phenyl]methanol;hydrochloride is Cl.NCCCOc1ccc(CO)cc1.
What is the InChIKey of [4-(3-aminopropoxy)phenyl]methanol;hydrochloride?
The InChIKey is GFGUPUWYJGYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c11-6-1-7-13-10-4-2-9(8-12)3-5-10;/h2-5,12H,1,6-8,11H2;1H.
What are the key properties of [4-(3-aminopropoxy)phenyl]methanol;hydrochloride?
[4-(3-aminopropoxy)phenyl]methanol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)phenyl]methanol;hydrochloride is sourced from PubChem (CID 118916202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).