azane;phenylmethanol;hydrochloride

C7H12ClNO — CID 173141367

IUPACazane;phenylmethanol;hydrochloride
SMILESCl.N.OCc1ccccc1
InChIInChI=1S/C7H8O.ClH.H3N/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;1H;1H3
InChIKeyKRDRINKIHLSJTB-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.76
Rot. Bonds1

About azane;phenylmethanol;hydrochloride

azane;phenylmethanol;hydrochloride (PubChem CID 173141367) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is azane;phenylmethanol;hydrochloride.

Molecular Properties

Compound Nameazane;phenylmethanol;hydrochloride
PubChem CID173141367
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Nameazane;phenylmethanol;hydrochloride
SMILESCl.N.OCc1ccccc1
InChIInChI=1S/C7H8O.ClH.H3N/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;1H;1H3
InChIKeyKRDRINKIHLSJTB-UHFFFAOYSA-N
XLogP1.76
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azane;phenylmethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenylmethanol;titanium;dihydrochloride
CID 88632851
phenylmethanol;zirconium
CID 18688174
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
methanol;phenylmethanol
CID 19822462
ethane-1,2-diol;phenylmethanol
CID 69228462
disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637
phenylmethanol;phosphane;trihydrobromide
CID 174749424
molecular hydrogen;phenylmethanol
CID 158888584
azanium;phenylmethanol;hydroxide
CID 70634097
azane;ethanol;phenylmethanol;hydrate
CID 173440514

Frequently Asked Questions

What is the IUPAC name of azane;phenylmethanol;hydrochloride?
The IUPAC name of azane;phenylmethanol;hydrochloride (CID 173141367) is azane;phenylmethanol;hydrochloride.
What is the SMILES notation for azane;phenylmethanol;hydrochloride?
The canonical SMILES for azane;phenylmethanol;hydrochloride is Cl.N.OCc1ccccc1.
What is the InChIKey of azane;phenylmethanol;hydrochloride?
The InChIKey is KRDRINKIHLSJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.ClH.H3N/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;1H;1H3.
What are the key properties of azane;phenylmethanol;hydrochloride?
azane;phenylmethanol;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phenylmethanol;hydrochloride is sourced from PubChem (CID 173141367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).