methylamino(phenyl)methanol;hydrochloride

C8H12ClNO — CID 175910090

IUPACmethylamino(phenyl)methanol;hydrochloride
SMILESCNC(O)c1ccccc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-9-8(10)7-5-3-2-4-6-7;/h2-6,8-10H,1H3;1H
InChIKeyQXOXLILSHQDDTP-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.32
Rot. Bonds2

About methylamino(phenyl)methanol;hydrochloride

methylamino(phenyl)methanol;hydrochloride (PubChem CID 175910090) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is methylamino(phenyl)methanol;hydrochloride.

Molecular Properties

Compound Namemethylamino(phenyl)methanol;hydrochloride
PubChem CID175910090
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Namemethylamino(phenyl)methanol;hydrochloride
SMILESCNC(O)c1ccccc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-9-8(10)7-5-3-2-4-6-7;/h2-6,8-10H,1H3;1H
InChIKeyQXOXLILSHQDDTP-UHFFFAOYSA-N
XLogP1.32
TPSA32.26 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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino(phenyl)methanol;hydrochloride?
The IUPAC name of methylamino(phenyl)methanol;hydrochloride (CID 175910090) is methylamino(phenyl)methanol;hydrochloride.
What is the SMILES notation for methylamino(phenyl)methanol;hydrochloride?
The canonical SMILES for methylamino(phenyl)methanol;hydrochloride is CNC(O)c1ccccc1.Cl.
What is the InChIKey of methylamino(phenyl)methanol;hydrochloride?
The InChIKey is QXOXLILSHQDDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-9-8(10)7-5-3-2-4-6-7;/h2-6,8-10H,1H3;1H.
What are the key properties of methylamino(phenyl)methanol;hydrochloride?
methylamino(phenyl)methanol;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino(phenyl)methanol;hydrochloride is sourced from PubChem (CID 175910090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).