4-(benzylamino)phenol;hydrochloride

C13H14ClNO — CID 16738613

IUPAC4-(benzylamino)phenol;hydrochloride
SMILESCl.Oc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H13NO.ClH/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14-15H,10H2;1H
InChIKeyJBXHUWBBVGSDJX-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.43
Rot. Bonds3

About 4-(benzylamino)phenol;hydrochloride

4-(benzylamino)phenol;hydrochloride (PubChem CID 16738613) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-(benzylamino)phenol;hydrochloride.

Molecular Properties

Compound Name4-(benzylamino)phenol;hydrochloride
PubChem CID16738613
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-(benzylamino)phenol;hydrochloride
SMILESCl.Oc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H13NO.ClH/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14-15H,10H2;1H
InChIKeyJBXHUWBBVGSDJX-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

CID 163931246
CID 163931246
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
N-benzyl-4-chloroaniline chloride
CID 45109713
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
N'-[4-(benzylamino)phenyl]acetohydrazide
CID 21427829
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
[4-(benzylamino)phenyl]urea
CID 43744943
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
4-[[4-[[[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]amino]methyl]phenyl]methylamino]phenol
CID 143611834
5-(benzylamino)-2-chlorophenol
CID 68679266
N-benzyl-N'-phenylmethanediamine
CID 151589453

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)phenol;hydrochloride?
The IUPAC name of 4-(benzylamino)phenol;hydrochloride (CID 16738613) is 4-(benzylamino)phenol;hydrochloride.
What is the SMILES notation for 4-(benzylamino)phenol;hydrochloride?
The canonical SMILES for 4-(benzylamino)phenol;hydrochloride is Cl.Oc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylamino)phenol;hydrochloride?
The InChIKey is JBXHUWBBVGSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14-15H,10H2;1H.
What are the key properties of 4-(benzylamino)phenol;hydrochloride?
4-(benzylamino)phenol;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)phenol;hydrochloride is sourced from PubChem (CID 16738613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).