(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone

C18H21NO2 — CID 82266633

IUPAC(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone
SMILESCCCOc1cc(C)c(C(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-4-9-21-16-10-12(2)17(13(3)11-16)18(20)14-5-7-15(19)8-6-14/h5-8,10-11H,4,9,19H2,1-3H3
InChIKeyBFJUIKYJXHTFKI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.91
Rot. Bonds5

About (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone

(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone (PubChem CID 82266633) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone
PubChem CID82266633
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone
SMILESCCCOc1cc(C)c(C(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-4-9-21-16-10-12(2)17(13(3)11-16)18(20)14-5-7-15(19)8-6-14/h5-8,10-11H,4,9,19H2,1-3H3
InChIKeyBFJUIKYJXHTFKI-UHFFFAOYSA-N
XLogP3.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone (CID 82266633) is (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone is CCCOc1cc(C)c(C(=O)c2ccc(N)cc2)c(C)c1.
What is the InChIKey of (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone?
The InChIKey is BFJUIKYJXHTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-9-21-16-10-12(2)17(13(3)11-16)18(20)14-5-7-15(19)8-6-14/h5-8,10-11H,4,9,19H2,1-3H3.
What are the key properties of (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone?
(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone is sourced from PubChem (CID 82266633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).