4-[(3R)-3-aminobutyl]phenol

C10H15NO — CID 22831505

IUPAC4-[(3R)-3-aminobutyl]phenol
SMILESC[C@@H](N)CCc1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3/t8-/m1/s1
InChIKeyWNTVTQIJPAFZEL-MRVPVSSYSA-N
MW165.24 g/mol
LogP1.67
Rot. Bonds3

About 4-[(3R)-3-aminobutyl]phenol

4-[(3R)-3-aminobutyl]phenol (PubChem CID 22831505) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[(3R)-3-aminobutyl]phenol.

Molecular Properties

Compound Name4-[(3R)-3-aminobutyl]phenol
PubChem CID22831505
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-[(3R)-3-aminobutyl]phenol
SMILESC[C@@H](N)CCc1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3/t8-/m1/s1
InChIKeyWNTVTQIJPAFZEL-MRVPVSSYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminobutyl]phenol?
The IUPAC name of 4-[(3R)-3-aminobutyl]phenol (CID 22831505) is 4-[(3R)-3-aminobutyl]phenol.
What is the SMILES notation for 4-[(3R)-3-aminobutyl]phenol?
The canonical SMILES for 4-[(3R)-3-aminobutyl]phenol is C[C@@H](N)CCc1ccc(O)cc1.
What is the InChIKey of 4-[(3R)-3-aminobutyl]phenol?
The InChIKey is WNTVTQIJPAFZEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-aminobutyl]phenol?
4-[(3R)-3-aminobutyl]phenol has a molecular weight of 165.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminobutyl]phenol is sourced from PubChem (CID 22831505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).