4-[(1S)-1-amino-2-methoxyethyl]phenol

C9H13NO2 — CID 55292260

IUPAC4-[(1S)-1-amino-2-methoxyethyl]phenol
SMILESCOC[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-12-6-9(10)7-2-4-8(11)5-3-7/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1
InChIKeyDPBRUMLZCODINM-SECBINFHSA-N
MW167.21 g/mol
LogP1.04
Rot. Bonds3

About 4-[(1S)-1-amino-2-methoxyethyl]phenol

4-[(1S)-1-amino-2-methoxyethyl]phenol (PubChem CID 55292260) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methoxyethyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methoxyethyl]phenol
PubChem CID55292260
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-[(1S)-1-amino-2-methoxyethyl]phenol
SMILESCOC[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-12-6-9(10)7-2-4-8(11)5-3-7/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1
InChIKeyDPBRUMLZCODINM-SECBINFHSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[4-(methoxymethyl)phenyl]ethanamine
CID 18507864
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
CID 130658137
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
CID 55270386
4-[1-amino-2-(difluoromethoxy)ethyl]phenol
CID 84721532
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
6-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55293682
4-[(1S)-1,3-diaminopropyl]phenol
CID 130913331

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]phenol?
The IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]phenol (CID 55292260) is 4-[(1S)-1-amino-2-methoxyethyl]phenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-methoxyethyl]phenol?
The canonical SMILES for 4-[(1S)-1-amino-2-methoxyethyl]phenol is COC[C@@H](N)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S)-1-amino-2-methoxyethyl]phenol?
The InChIKey is DPBRUMLZCODINM-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-6-9(10)7-2-4-8(11)5-3-7/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-methoxyethyl]phenol?
4-[(1S)-1-amino-2-methoxyethyl]phenol has a molecular weight of 167.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methoxyethyl]phenol is sourced from PubChem (CID 55292260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).