2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride

C12H21ClN2O2 — CID 170892242

IUPAC2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
SMILESCOc1cc(N(C)C)ccc1CC(N)CO.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-14(2)11-5-4-9(6-10(13)8-15)12(7-11)16-3;/h4-5,7,10,15H,6,8,13H2,1-3H3;1H
InChIKeyJMFDPPKHBJEACQ-UHFFFAOYSA-N
MW260.76 g/mol
LogP1.05
Rot. Bonds5

About 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride

2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride (PubChem CID 170892242) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
PubChem CID170892242
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
SMILESCOc1cc(N(C)C)ccc1CC(N)CO.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-14(2)11-5-4-9(6-10(13)8-15)12(7-11)16-3;/h4-5,7,10,15H,6,8,13H2,1-3H3;1H
InChIKeyJMFDPPKHBJEACQ-UHFFFAOYSA-N
XLogP1.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170892243
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893691
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
CID 170893663
4-[4-(2-amino-3-hydroxypropyl)-3-methoxyphenoxy]butanoic acid;hydrochloride
CID 170892521
3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170874587
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride (CID 170892242) is 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride is COc1cc(N(C)C)ccc1CC(N)CO.Cl.
What is the InChIKey of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride?
The InChIKey is JMFDPPKHBJEACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.ClH/c1-14(2)11-5-4-9(6-10(13)8-15)12(7-11)16-3;/h4-5,7,10,15H,6,8,13H2,1-3H3;1H.
What are the key properties of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride?
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride has a molecular weight of 260.76 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).