[4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride

C9H14ClNO — CID 163353558

IUPAC[4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride
SMILESCc1cc(CN)ccc1CO.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7-4-8(5-10)2-3-9(7)6-11;/h2-4,11H,5-6,10H2,1H3;1H
InChIKeyNAKUFMOWYVBABU-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.37
Rot. Bonds2

About [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride

[4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride (PubChem CID 163353558) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride
PubChem CID163353558
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name[4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride
SMILESCc1cc(CN)ccc1CO.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7-4-8(5-10)2-3-9(7)6-11;/h2-4,11H,5-6,10H2,1H3;1H
InChIKeyNAKUFMOWYVBABU-UHFFFAOYSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride?
The IUPAC name of [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride (CID 163353558) is [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride?
The canonical SMILES for [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride is Cc1cc(CN)ccc1CO.Cl.
What is the InChIKey of [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride?
The InChIKey is NAKUFMOWYVBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7-4-8(5-10)2-3-9(7)6-11;/h2-4,11H,5-6,10H2,1H3;1H.
What are the key properties of [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride?
[4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylphenyl]methanol;hydrochloride is sourced from PubChem (CID 163353558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).