2-(anthracen-9-ylmethyl)guanidine;hydrochloride

C16H16ClN3 — CID 24749470

IUPAC2-(anthracen-9-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H15N3.ClH/c17-16(18)19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-9H,10H2,(H4,17,18,19);1H
InChIKeyJPRYXHBPHGWAPD-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.19
Rot. Bonds2

About 2-(anthracen-9-ylmethyl)guanidine;hydrochloride

2-(anthracen-9-ylmethyl)guanidine;hydrochloride (PubChem CID 24749470) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(anthracen-9-ylmethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(anthracen-9-ylmethyl)guanidine;hydrochloride
PubChem CID24749470
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(anthracen-9-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H15N3.ClH/c17-16(18)19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-9H,10H2,(H4,17,18,19);1H
InChIKeyJPRYXHBPHGWAPD-UHFFFAOYSA-N
XLogP3.19
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(anthracen-9-ylmethyl)guanidine;hydrochloride?
The IUPAC name of 2-(anthracen-9-ylmethyl)guanidine;hydrochloride (CID 24749470) is 2-(anthracen-9-ylmethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(anthracen-9-ylmethyl)guanidine;hydrochloride?
The canonical SMILES for 2-(anthracen-9-ylmethyl)guanidine;hydrochloride is Cl.NC(N)=NCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(anthracen-9-ylmethyl)guanidine;hydrochloride?
The InChIKey is JPRYXHBPHGWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3.ClH/c17-16(18)19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-9H,10H2,(H4,17,18,19);1H.
What are the key properties of 2-(anthracen-9-ylmethyl)guanidine;hydrochloride?
2-(anthracen-9-ylmethyl)guanidine;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-9-ylmethyl)guanidine;hydrochloride is sourced from PubChem (CID 24749470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).