[4-(2-aminoethyl)phenyl]methanol

C9H13NO — CID 12671358

IUPAC[4-(2-aminoethyl)phenyl]methanol
SMILESNCCc1ccc(CO)cc1
InChIInChI=1S/C9H13NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,5-7,10H2
InChIKeyMRJUPJKYBZVMCR-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.68
Rot. Bonds3

About [4-(2-aminoethyl)phenyl]methanol

[4-(2-aminoethyl)phenyl]methanol (PubChem CID 12671358) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]methanol
PubChem CID12671358
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name[4-(2-aminoethyl)phenyl]methanol
SMILESNCCc1ccc(CO)cc1
InChIInChI=1S/C9H13NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,5-7,10H2
InChIKeyMRJUPJKYBZVMCR-UHFFFAOYSA-N
XLogP0.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]methanol?
The IUPAC name of [4-(2-aminoethyl)phenyl]methanol (CID 12671358) is [4-(2-aminoethyl)phenyl]methanol.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]methanol?
The canonical SMILES for [4-(2-aminoethyl)phenyl]methanol is NCCc1ccc(CO)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]methanol?
The InChIKey is MRJUPJKYBZVMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,5-7,10H2.
What are the key properties of [4-(2-aminoethyl)phenyl]methanol?
[4-(2-aminoethyl)phenyl]methanol has a molecular weight of 151.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]methanol is sourced from PubChem (CID 12671358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).