3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride

C11H18ClNO3 — CID 132961318

IUPAC3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CCO)cc1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-14-10-4-3-8(7-11(10)15-2)9(12)5-6-13;/h3-4,7,9,13H,5-6,12H2,1-2H3;1H
InChIKeyPZWYNTKAZHCYRQ-UHFFFAOYSA-N
MW247.72 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride

3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 132961318) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID132961318
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CCO)cc1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-14-10-4-3-8(7-11(10)15-2)9(12)5-6-13;/h3-4,7,9,13H,5-6,12H2,1-2H3;1H
InChIKeyPZWYNTKAZHCYRQ-UHFFFAOYSA-N
XLogP1.51
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride (CID 132961318) is 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride is COc1ccc(C(N)CCO)cc1OC.Cl.
What is the InChIKey of 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is PZWYNTKAZHCYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-14-10-4-3-8(7-11(10)15-2)9(12)5-6-13;/h3-4,7,9,13H,5-6,12H2,1-2H3;1H.
What are the key properties of 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride?
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 132961318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).