[2-(aminomethyl)phenyl]methanol;hydrochloride

C8H12ClNO — CID 12504716

IUPAC[2-(aminomethyl)phenyl]methanol;hydrochloride
SMILESCl.NCc1ccccc1CO
InChIInChI=1S/C8H11NO.ClH/c9-5-7-3-1-2-4-8(7)6-10;/h1-4,10H,5-6,9H2;1H
InChIKeyAVJCDPZZYDVZIL-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.06
Rot. Bonds2

About [2-(aminomethyl)phenyl]methanol;hydrochloride

[2-(aminomethyl)phenyl]methanol;hydrochloride (PubChem CID 12504716) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]methanol;hydrochloride
PubChem CID12504716
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name[2-(aminomethyl)phenyl]methanol;hydrochloride
SMILESCl.NCc1ccccc1CO
InChIInChI=1S/C8H11NO.ClH/c9-5-7-3-1-2-4-8(7)6-10;/h1-4,10H,5-6,9H2;1H
InChIKeyAVJCDPZZYDVZIL-UHFFFAOYSA-N
XLogP1.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]methanol;hydrochloride?
The IUPAC name of [2-(aminomethyl)phenyl]methanol;hydrochloride (CID 12504716) is [2-(aminomethyl)phenyl]methanol;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)phenyl]methanol;hydrochloride?
The canonical SMILES for [2-(aminomethyl)phenyl]methanol;hydrochloride is Cl.NCc1ccccc1CO.
What is the InChIKey of [2-(aminomethyl)phenyl]methanol;hydrochloride?
The InChIKey is AVJCDPZZYDVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c9-5-7-3-1-2-4-8(7)6-10;/h1-4,10H,5-6,9H2;1H.
What are the key properties of [2-(aminomethyl)phenyl]methanol;hydrochloride?
[2-(aminomethyl)phenyl]methanol;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]methanol;hydrochloride is sourced from PubChem (CID 12504716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).