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

C12H20N2O2 — CID 170874587

IUPAC3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
SMILESCOc1cc(N(C)C)ccc1C(N)CCO
InChIInChI=1S/C12H20N2O2/c1-14(2)9-4-5-10(11(13)6-7-15)12(8-9)16-3/h4-5,8,11,15H,6-7,13H2,1-3H3
InChIKeyKWTWKGGHXXTQID-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.14
Rot. Bonds5

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

3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol (PubChem CID 170874587) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
PubChem CID170874587
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
SMILESCOc1cc(N(C)C)ccc1C(N)CCO
InChIInChI=1S/C12H20N2O2/c1-14(2)9-4-5-10(11(13)6-7-15)12(8-9)16-3/h4-5,8,11,15H,6-7,13H2,1-3H3
InChIKeyKWTWKGGHXXTQID-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
CID 171212662
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170892243
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
The IUPAC name of 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol (CID 170874587) is 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol is COc1cc(N(C)C)ccc1C(N)CCO.
What is the InChIKey of 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
The InChIKey is KWTWKGGHXXTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(2)9-4-5-10(11(13)6-7-15)12(8-9)16-3/h4-5,8,11,15H,6-7,13H2,1-3H3.
What are the key properties of 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol?
3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 170874587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).