2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride

C11H18ClNO3 — CID 170893627

IUPAC2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCOCOc1cccc(CC(N)CO)c1.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-14-8-15-11-4-2-3-9(6-11)5-10(12)7-13;/h2-4,6,10,13H,5,7-8,12H2,1H3;1H
InChIKeyQXPBFETUEBVFBR-UHFFFAOYSA-N
MW247.72 g/mol
LogP0.95
Rot. Bonds6

About 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride

2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 170893627) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID170893627
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCOCOc1cccc(CC(N)CO)c1.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-14-8-15-11-4-2-3-9(6-11)5-10(12)7-13;/h2-4,6,10,13H,5,7-8,12H2,1H3;1H
InChIKeyQXPBFETUEBVFBR-UHFFFAOYSA-N
XLogP0.95
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
[3-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892004
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol
CID 170893180
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride (CID 170893627) is 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride is COCOc1cccc(CC(N)CO)c1.Cl.
What is the InChIKey of 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is QXPBFETUEBVFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-14-8-15-11-4-2-3-9(6-11)5-10(12)7-13;/h2-4,6,10,13H,5,7-8,12H2,1H3;1H.
What are the key properties of 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).