2-[(1R)-1-aminoethyl]phenol

C8H11NO — CID 11105425

IUPAC2-[(1R)-1-aminoethyl]phenol
SMILESC[C@@H](N)c1ccccc1O
InChIInChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3/t6-/m1/s1
InChIKeyZWKWKJWRIYGQFD-ZCFIWIBFSA-N
MW137.18 g/mol
LogP1.41
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]phenol

2-[(1R)-1-aminoethyl]phenol (PubChem CID 11105425) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]phenol
PubChem CID11105425
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-[(1R)-1-aminoethyl]phenol
SMILESC[C@@H](N)c1ccccc1O
InChIInChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3/t6-/m1/s1
InChIKeyZWKWKJWRIYGQFD-ZCFIWIBFSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]phenol?
The IUPAC name of 2-[(1R)-1-aminoethyl]phenol (CID 11105425) is 2-[(1R)-1-aminoethyl]phenol.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]phenol?
The canonical SMILES for 2-[(1R)-1-aminoethyl]phenol is C[C@@H](N)c1ccccc1O.
What is the InChIKey of 2-[(1R)-1-aminoethyl]phenol?
The InChIKey is ZWKWKJWRIYGQFD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]phenol?
2-[(1R)-1-aminoethyl]phenol has a molecular weight of 137.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]phenol is sourced from PubChem (CID 11105425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).