(3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone

C14H14N2O2 — CID 19708199

IUPAC(3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(N)cc2)cc1N
InChIInChI=1S/C14H14N2O2/c1-18-13-7-4-10(8-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,15-16H2,1H3
InChIKeyVRBYMPVHNHFGQV-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.09
Rot. Bonds3

About (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone

(3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone (PubChem CID 19708199) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone
PubChem CID19708199
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(N)cc2)cc1N
InChIInChI=1S/C14H14N2O2/c1-18-13-7-4-10(8-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,15-16H2,1H3
InChIKeyVRBYMPVHNHFGQV-UHFFFAOYSA-N
XLogP2.09
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone (CID 19708199) is (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone is COc1ccc(C(=O)c2ccc(N)cc2)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone?
The InChIKey is VRBYMPVHNHFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-7-4-10(8-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,15-16H2,1H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone?
(3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone has a molecular weight of 242.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(4-aminophenyl)methanone is sourced from PubChem (CID 19708199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).