2-(2-nitrophenyl)naphthalen-1-amine

C16H12N2O2 — CID 91493820

IUPAC2-(2-nitrophenyl)naphthalen-1-amine
SMILESNc1c(-c2ccccc2[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C16H12N2O2/c17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)18(19)20/h1-10H,17H2
InChIKeyJEBSEGONVKJZSY-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.00
Rot. Bonds2

About 2-(2-nitrophenyl)naphthalen-1-amine

2-(2-nitrophenyl)naphthalen-1-amine (PubChem CID 91493820) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2-nitrophenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-(2-nitrophenyl)naphthalen-1-amine
PubChem CID91493820
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-(2-nitrophenyl)naphthalen-1-amine
SMILESNc1c(-c2ccccc2[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C16H12N2O2/c17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)18(19)20/h1-10H,17H2
InChIKeyJEBSEGONVKJZSY-UHFFFAOYSA-N
XLogP4.00
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-nitrophenyl)naphthalene-1-carbaldehyde
CID 10778882
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
1-nitronaphthalene;hydrate
CID 174470741
4-nitrophenanthrene
CID 139058403
2-(2-phenylphenyl)naphthalen-1-amine
CID 141161672
2-(1-aminonaphthalen-2-yl)benzoic acid
CID 21398858
formonitrile;1-nitronaphthalene
CID 174387830
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
1-naphthalen-1-yl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232861
11-(2-nitrophenyl)-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 134338033

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)naphthalen-1-amine?
The IUPAC name of 2-(2-nitrophenyl)naphthalen-1-amine (CID 91493820) is 2-(2-nitrophenyl)naphthalen-1-amine.
What is the SMILES notation for 2-(2-nitrophenyl)naphthalen-1-amine?
The canonical SMILES for 2-(2-nitrophenyl)naphthalen-1-amine is Nc1c(-c2ccccc2[N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 2-(2-nitrophenyl)naphthalen-1-amine?
The InChIKey is JEBSEGONVKJZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)18(19)20/h1-10H,17H2.
What are the key properties of 2-(2-nitrophenyl)naphthalen-1-amine?
2-(2-nitrophenyl)naphthalen-1-amine has a molecular weight of 264.28 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)naphthalen-1-amine is sourced from PubChem (CID 91493820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).