2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol

C10H15NO3 — CID 55264441

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H](N)CCO)c1
InChIInChI=1S/C10H15NO3/c1-14-7-2-3-10(13)8(6-7)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m1/s1
InChIKeySDXNEKIWDGEYPB-SECBINFHSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds4

About 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol

2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol (PubChem CID 55264441) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
PubChem CID55264441
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H](N)CCO)c1
InChIInChI=1S/C10H15NO3/c1-14-7-2-3-10(13)8(6-7)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m1/s1
InChIKeySDXNEKIWDGEYPB-SECBINFHSA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1,5-diaminopentyl]-4-methoxyphenol
CID 171222237
2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
CID 84681414
2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171210164
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
2-[(1S)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171229770
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171222254
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171202696
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-methoxyphenol;hydrochloride
CID 171222270

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol (CID 55264441) is 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol is COc1ccc(O)c([C@H](N)CCO)c1.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
The InChIKey is SDXNEKIWDGEYPB-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-7-2-3-10(13)8(6-7)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol is sourced from PubChem (CID 55264441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).