(3-aminophenyl)-phenylmethanone

C13H11NO — CID 17817

IUPAC(3-aminophenyl)-phenylmethanone
SMILESNc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2
InChIKeyFUADXEJBHCKVBN-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.50
Rot. Bonds2

About (3-aminophenyl)-phenylmethanone

(3-aminophenyl)-phenylmethanone (PubChem CID 17817) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (3-aminophenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-aminophenyl)-phenylmethanone
PubChem CID17817
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(3-aminophenyl)-phenylmethanone
SMILESNc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2
InChIKeyFUADXEJBHCKVBN-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
3-(3-aminobenzoyl)benzoic acid
CID 18974175
(3-aminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
CID 23352814
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
3-aminobenzoic acid;azane
CID 159954068
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-phenylmethanone?
The IUPAC name of (3-aminophenyl)-phenylmethanone (CID 17817) is (3-aminophenyl)-phenylmethanone.
What is the SMILES notation for (3-aminophenyl)-phenylmethanone?
The canonical SMILES for (3-aminophenyl)-phenylmethanone is Nc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-aminophenyl)-phenylmethanone?
The InChIKey is FUADXEJBHCKVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2.
What are the key properties of (3-aminophenyl)-phenylmethanone?
(3-aminophenyl)-phenylmethanone has a molecular weight of 197.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-phenylmethanone is sourced from PubChem (CID 17817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).