[2-[(benzylamino)methyl]phenyl]methanol;hydrochloride

C15H18ClNO — CID 6603186

IUPAC[2-[(benzylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1ccccc1CNCc1ccccc1
InChIInChI=1S/C15H17NO.ClH/c17-12-15-9-5-4-8-14(15)11-16-10-13-6-2-1-3-7-13;/h1-9,16-17H,10-12H2;1H
InChIKeyAFEAYJZKYIUNBF-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.89
Rot. Bonds5

About [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride

[2-[(benzylamino)methyl]phenyl]methanol;hydrochloride (PubChem CID 6603186) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-[(benzylamino)methyl]phenyl]methanol;hydrochloride
PubChem CID6603186
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name[2-[(benzylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1ccccc1CNCc1ccccc1
InChIInChI=1S/C15H17NO.ClH/c17-12-15-9-5-4-8-14(15)11-16-10-13-6-2-1-3-7-13;/h1-9,16-17H,10-12H2;1H
InChIKeyAFEAYJZKYIUNBF-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride?
The IUPAC name of [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride (CID 6603186) is [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride is Cl.OCc1ccccc1CNCc1ccccc1.
What is the InChIKey of [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride?
The InChIKey is AFEAYJZKYIUNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c17-12-15-9-5-4-8-14(15)11-16-10-13-6-2-1-3-7-13;/h1-9,16-17H,10-12H2;1H.
What are the key properties of [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride?
[2-[(benzylamino)methyl]phenyl]methanol;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(benzylamino)methyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 6603186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).