(2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide

C15H16BrNO — CID 54583692

IUPAC(2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide
SMILESBr.CCc1cccc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C15H15NO.BrH/c1-2-11-9-6-10-13(14(11)16)15(17)12-7-4-3-5-8-12;/h3-10H,2,16H2,1H3;1H
InChIKeyKEAXJWQJMWSYHI-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.64
Rot. Bonds3

About (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide

(2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide (PubChem CID 54583692) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide.

Molecular Properties

Compound Name(2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide
PubChem CID54583692
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide
SMILESBr.CCc1cccc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C15H15NO.BrH/c1-2-11-9-6-10-13(14(11)16)15(17)12-7-4-3-5-8-12;/h3-10H,2,16H2,1H3;1H
InChIKeyKEAXJWQJMWSYHI-UHFFFAOYSA-N
XLogP3.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide?
The IUPAC name of (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide (CID 54583692) is (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide.
What is the SMILES notation for (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide?
The canonical SMILES for (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide is Br.CCc1cccc(C(=O)c2ccccc2)c1N.
What is the InChIKey of (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide?
The InChIKey is KEAXJWQJMWSYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.BrH/c1-2-11-9-6-10-13(14(11)16)15(17)12-7-4-3-5-8-12;/h3-10H,2,16H2,1H3;1H.
What are the key properties of (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide?
(2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide has a molecular weight of 306.20 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-ethylphenyl)-phenylmethanone;hydrobromide is sourced from PubChem (CID 54583692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).