1-[4-(aminomethyl)phenyl]ethanol

C9H13NO — CID 22612331

IUPAC1-[4-(aminomethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CN)cc1
InChIInChI=1S/C9H13NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6,10H2,1H3
InChIKeyRIYYBTSTPIEMBD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.20
Rot. Bonds2

About 1-[4-(aminomethyl)phenyl]ethanol

1-[4-(aminomethyl)phenyl]ethanol (PubChem CID 22612331) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]ethanol
PubChem CID22612331
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[4-(aminomethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CN)cc1
InChIInChI=1S/C9H13NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6,10H2,1H3
InChIKeyRIYYBTSTPIEMBD-UHFFFAOYSA-N
XLogP1.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]ethanol (CID 22612331) is 1-[4-(aminomethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]ethanol is CC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]ethanol?
The InChIKey is RIYYBTSTPIEMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6,10H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]ethanol?
1-[4-(aminomethyl)phenyl]ethanol has a molecular weight of 151.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]ethanol is sourced from PubChem (CID 22612331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).