1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride

C20H17ClN2 — CID 139641730

IUPAC1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
SMILESCl.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C20H16N2.ClH/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;/h1-12H,21-22H2;1H
InChIKeyCCWWFYXRDMBOMY-UHFFFAOYSA-N
MW320.82 g/mol
LogP5.25
Rot. Bonds1

About 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride

1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride (PubChem CID 139641730) has the molecular formula C20H17ClN2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
PubChem CID139641730
Molecular FormulaC20H17ClN2
Molecular Weight320.82 g/mol
Exact Mass320.11
IUPAC Name1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
SMILESCl.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C20H16N2.ClH/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;/h1-12H,21-22H2;1H
InChIKeyCCWWFYXRDMBOMY-UHFFFAOYSA-N
XLogP5.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
1-phosphanylnaphthalen-2-amine
CID 15207058
1-(2-azidonaphthalen-1-yl)naphthalen-2-amine
CID 132545749
boric acid;1-naphthalen-1-ylnaphthalen-2-amine
CID 174302114
2-aminonaphthalen-1-ol;ethane
CID 143085377
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
1-(1-benzofuran-3-yl)naphthalen-2-amine
CID 134369746
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
CID 174017027
CID 174017027
azane;naphthalen-1-amine;dihydrochloride
CID 142719941

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride?
The IUPAC name of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride (CID 139641730) is 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride?
The canonical SMILES for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride is Cl.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.
What is the InChIKey of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride?
The InChIKey is CCWWFYXRDMBOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.ClH/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;/h1-12H,21-22H2;1H.
What are the key properties of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride?
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 5.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride is sourced from PubChem (CID 139641730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).