2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride

C14H24ClNO3 — CID 170891950

IUPAC2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride
SMILESCCOC(OCC)c1ccc(CC(N)CO)cc1.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-3-17-14(18-4-2)12-7-5-11(6-8-12)9-13(15)10-16;/h5-8,13-14,16H,3-4,9-10,15H2,1-2H3;1H
InChIKeyRQTYCWGGPJMEMZ-UHFFFAOYSA-N
MW289.80 g/mol
LogP2.04
Rot. Bonds8

About 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride

2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 170891950) has the molecular formula C14H24ClNO3 and a molecular weight of 289.80 g/mol. Its IUPAC name is 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID170891950
Molecular FormulaC14H24ClNO3
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Name2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride
SMILESCCOC(OCC)c1ccc(CC(N)CO)cc1.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-3-17-14(18-4-2)12-7-5-11(6-8-12)9-13(15)10-16;/h5-8,13-14,16H,3-4,9-10,15H2,1-2H3;1H
InChIKeyRQTYCWGGPJMEMZ-UHFFFAOYSA-N
XLogP2.04
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 52.04
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

[4-(diethoxymethyl)phenyl]methanol
CID 11063705
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
2-[4-(diethoxymethyl)phenyl]acetonitrile
CID 170886209
2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
CID 170892011

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride (CID 170891950) is 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride is CCOC(OCC)c1ccc(CC(N)CO)cc1.Cl.
What is the InChIKey of 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is RQTYCWGGPJMEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3.ClH/c1-3-17-14(18-4-2)12-7-5-11(6-8-12)9-13(15)10-16;/h5-8,13-14,16H,3-4,9-10,15H2,1-2H3;1H.
What are the key properties of 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 289.80 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170891950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).