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

C12H20N2O2 — CID 170892243

IUPAC2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
SMILESCOc1cc(N(C)C)ccc1CC(N)CO
InChIInChI=1S/C12H20N2O2/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
InChIKeyBHYGOACKSCTSHK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.62
Rot. Bonds5

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

2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol (PubChem CID 170892243) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
PubChem CID170892243
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
SMILESCOc1cc(N(C)C)ccc1CC(N)CO
InChIInChI=1S/C12H20N2O2/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
InChIKeyBHYGOACKSCTSHK-UHFFFAOYSA-N
XLogP0.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242
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
3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170874587
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
4-[4-(2-amino-3-hydroxypropyl)-3-methoxyphenoxy]butanoic acid;hydrochloride
CID 170892521
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
CID 115120711
2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol (CID 170892243) is 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol is COc1cc(N(C)C)ccc1CC(N)CO.
What is the InChIKey of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
The InChIKey is BHYGOACKSCTSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/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.
What are the key properties of 2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 0.62, 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 is sourced from PubChem (CID 170892243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).