boric acid;1-naphthalen-1-ylnaphthalen-2-amine

C20H18BNO3 — CID 174302114

IUPACboric acid;1-naphthalen-1-ylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1cccc2ccccc12.OB(O)O
InChIInChI=1S/C20H15N.BH3O3/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18;2-1(3)4/h1-13H,21H2;2-4H
InChIKeySMLWGYHPKDZIIF-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.19
Rot. Bonds1

About boric acid;1-naphthalen-1-ylnaphthalen-2-amine

boric acid;1-naphthalen-1-ylnaphthalen-2-amine (PubChem CID 174302114) has the molecular formula C20H18BNO3 and a molecular weight of 331.18 g/mol. Its IUPAC name is boric acid;1-naphthalen-1-ylnaphthalen-2-amine.

Molecular Properties

Compound Nameboric acid;1-naphthalen-1-ylnaphthalen-2-amine
PubChem CID174302114
Molecular FormulaC20H18BNO3
Molecular Weight331.18 g/mol
Exact Mass331.14
IUPAC Nameboric acid;1-naphthalen-1-ylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1cccc2ccccc12.OB(O)O
InChIInChI=1S/C20H15N.BH3O3/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18;2-1(3)4/h1-13H,21H2;2-4H
InChIKeySMLWGYHPKDZIIF-UHFFFAOYSA-N
XLogP3.19
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
3,4-dinaphthalen-1-yl-2-phenylaniline
CID 174903856
6-amino-3-bromo-2-naphthalen-1-ylphenol
CID 67804184
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
1-(1-benzofuran-3-yl)naphthalen-2-amine
CID 134369746
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330
(10-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 154381135
2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
CID 101270309

Frequently Asked Questions

What is the IUPAC name of boric acid;1-naphthalen-1-ylnaphthalen-2-amine?
The IUPAC name of boric acid;1-naphthalen-1-ylnaphthalen-2-amine (CID 174302114) is boric acid;1-naphthalen-1-ylnaphthalen-2-amine.
What is the SMILES notation for boric acid;1-naphthalen-1-ylnaphthalen-2-amine?
The canonical SMILES for boric acid;1-naphthalen-1-ylnaphthalen-2-amine is Nc1ccc2ccccc2c1-c1cccc2ccccc12.OB(O)O.
What is the InChIKey of boric acid;1-naphthalen-1-ylnaphthalen-2-amine?
The InChIKey is SMLWGYHPKDZIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N.BH3O3/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18;2-1(3)4/h1-13H,21H2;2-4H.
What are the key properties of boric acid;1-naphthalen-1-ylnaphthalen-2-amine?
boric acid;1-naphthalen-1-ylnaphthalen-2-amine has a molecular weight of 331.18 g/mol, XLogP of 3.19, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1-naphthalen-1-ylnaphthalen-2-amine is sourced from PubChem (CID 174302114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).