(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone

C19H23NO — CID 102706964

IUPAC(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2cc(N)c(C)cc2C)cc1
InChIInChI=1S/C19H23NO/c1-4-5-6-15-7-9-16(10-8-15)19(21)17-12-18(20)14(3)11-13(17)2/h7-12H,4-6,20H2,1-3H3
InChIKeyAYZASNMVQYBBGQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.46
Rot. Bonds5

About (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone

(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone (PubChem CID 102706964) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
PubChem CID102706964
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2cc(N)c(C)cc2C)cc1
InChIInChI=1S/C19H23NO/c1-4-5-6-15-7-9-16(10-8-15)19(21)17-12-18(20)14(3)11-13(17)2/h7-12H,4-6,20H2,1-3H3
InChIKeyAYZASNMVQYBBGQ-UHFFFAOYSA-N
XLogP4.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.46
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

(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
(2-bromofuran-3-yl)-(4-butylphenyl)methanone
CID 106851240
(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide
CID 154008662
(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
CID 113367205
(3-amino-5-methylphenyl)-(4-propylphenyl)methanone
CID 113396436
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
4-pentylbenzoyl bromide
CID 87349955
(3,4-dimethylphenyl) 4-butylbenzoate
CID 91723742
amino 4-butylbenzoate
CID 68976158
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone (CID 102706964) is (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone is CCCCc1ccc(C(=O)c2cc(N)c(C)cc2C)cc1.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone?
The InChIKey is AYZASNMVQYBBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-5-6-15-7-9-16(10-8-15)19(21)17-12-18(20)14(3)11-13(17)2/h7-12H,4-6,20H2,1-3H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone?
(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone has a molecular weight of 281.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone is sourced from PubChem (CID 102706964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).