4-[5-(1-aminoethyl)-2-methylphenyl]phenol

C15H17NO — CID 115036232

IUPAC4-[5-(1-aminoethyl)-2-methylphenyl]phenol
SMILESCc1ccc(C(C)N)cc1-c1ccc(O)cc1
InChIInChI=1S/C15H17NO/c1-10-3-4-13(11(2)16)9-15(10)12-5-7-14(17)8-6-12/h3-9,11,17H,16H2,1-2H3
InChIKeyVIXATARHEYYXBE-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.39
Rot. Bonds2

About 4-[5-(1-aminoethyl)-2-methylphenyl]phenol

4-[5-(1-aminoethyl)-2-methylphenyl]phenol (PubChem CID 115036232) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[5-(1-aminoethyl)-2-methylphenyl]phenol.

Molecular Properties

Compound Name4-[5-(1-aminoethyl)-2-methylphenyl]phenol
PubChem CID115036232
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[5-(1-aminoethyl)-2-methylphenyl]phenol
SMILESCc1ccc(C(C)N)cc1-c1ccc(O)cc1
InChIInChI=1S/C15H17NO/c1-10-3-4-13(11(2)16)9-15(10)12-5-7-14(17)8-6-12/h3-9,11,17H,16H2,1-2H3
InChIKeyVIXATARHEYYXBE-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoethyl)-2-methylphenyl]phenol?
The IUPAC name of 4-[5-(1-aminoethyl)-2-methylphenyl]phenol (CID 115036232) is 4-[5-(1-aminoethyl)-2-methylphenyl]phenol.
What is the SMILES notation for 4-[5-(1-aminoethyl)-2-methylphenyl]phenol?
The canonical SMILES for 4-[5-(1-aminoethyl)-2-methylphenyl]phenol is Cc1ccc(C(C)N)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(1-aminoethyl)-2-methylphenyl]phenol?
The InChIKey is VIXATARHEYYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-3-4-13(11(2)16)9-15(10)12-5-7-14(17)8-6-12/h3-9,11,17H,16H2,1-2H3.
What are the key properties of 4-[5-(1-aminoethyl)-2-methylphenyl]phenol?
4-[5-(1-aminoethyl)-2-methylphenyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-aminoethyl)-2-methylphenyl]phenol is sourced from PubChem (CID 115036232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).