4-[2-(benzylamino)ethyl]phenol;hydrochloride

C15H18ClNO — CID 3042571

IUPAC4-[2-(benzylamino)ethyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C15H17NO.ClH/c17-15-8-6-13(7-9-15)10-11-16-12-14-4-2-1-3-5-14;/h1-9,16-17H,10-12H2;1H
InChIKeyYZLRERGTVPWECP-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.15
Rot. Bonds5

About 4-[2-(benzylamino)ethyl]phenol;hydrochloride

4-[2-(benzylamino)ethyl]phenol;hydrochloride (PubChem CID 3042571) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-[2-(benzylamino)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-(benzylamino)ethyl]phenol;hydrochloride
PubChem CID3042571
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name4-[2-(benzylamino)ethyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C15H17NO.ClH/c17-15-8-6-13(7-9-15)10-11-16-12-14-4-2-1-3-5-14;/h1-9,16-17H,10-12H2;1H
InChIKeyYZLRERGTVPWECP-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)ethyl]phenol;hydrochloride?
The IUPAC name of 4-[2-(benzylamino)ethyl]phenol;hydrochloride (CID 3042571) is 4-[2-(benzylamino)ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-(benzylamino)ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[2-(benzylamino)ethyl]phenol;hydrochloride is Cl.Oc1ccc(CCNCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(benzylamino)ethyl]phenol;hydrochloride?
The InChIKey is YZLRERGTVPWECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c17-15-8-6-13(7-9-15)10-11-16-12-14-4-2-1-3-5-14;/h1-9,16-17H,10-12H2;1H.
What are the key properties of 4-[2-(benzylamino)ethyl]phenol;hydrochloride?
4-[2-(benzylamino)ethyl]phenol;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)ethyl]phenol;hydrochloride is sourced from PubChem (CID 3042571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).