2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol

C17H21NO3 — CID 10039695

IUPAC2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
SMILESCOc1cccc(Cc2ccccc2C(O)CN)c1OC
InChIInChI=1S/C17H21NO3/c1-20-16-9-5-7-13(17(16)21-2)10-12-6-3-4-8-14(12)15(19)11-18/h3-9,15,19H,10-11,18H2,1-2H3
InChIKeyXTZRDHGYLDUCFG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.29
Rot. Bonds6

About 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol

2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol (PubChem CID 10039695) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
PubChem CID10039695
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
SMILESCOc1cccc(Cc2ccccc2C(O)CN)c1OC
InChIInChI=1S/C17H21NO3/c1-20-16-9-5-7-13(17(16)21-2)10-12-6-3-4-8-14(12)15(19)11-18/h3-9,15,19H,10-11,18H2,1-2H3
InChIKeyXTZRDHGYLDUCFG-UHFFFAOYSA-N
XLogP2.29
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135373
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
CID 43148320
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol (CID 10039695) is 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol is COc1cccc(Cc2ccccc2C(O)CN)c1OC.
What is the InChIKey of 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol?
The InChIKey is XTZRDHGYLDUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-16-9-5-7-13(17(16)21-2)10-12-6-3-4-8-14(12)15(19)11-18/h3-9,15,19H,10-11,18H2,1-2H3.
What are the key properties of 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol?
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol is sourced from PubChem (CID 10039695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).