(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone

C18H21NO — CID 65456262

IUPAC(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2cc(C)ccc2N)c1
InChIInChI=1S/C18H21NO/c1-4-13-7-8-14(5-2)15(11-13)18(20)16-10-12(3)6-9-17(16)19/h6-11H,4-5,19H2,1-3H3
InChIKeyZZWVLPYDTGXHCY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.93
Rot. Bonds4

About (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone

(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone (PubChem CID 65456262) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
PubChem CID65456262
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2cc(C)ccc2N)c1
InChIInChI=1S/C18H21NO/c1-4-13-7-8-14(5-2)15(11-13)18(20)16-10-12(3)6-9-17(16)19/h6-11H,4-5,19H2,1-3H3
InChIKeyZZWVLPYDTGXHCY-UHFFFAOYSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.93
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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Related Compounds

(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
CID 107874174
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
2,5-diethylbenzoyl iodide
CID 139959906
1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
CID 130983756
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
bis[2-(2-amino-5-methylphenyl)phenyl]methanone
CID 139990315
propyl 2,5-diethylbenzoate
CID 22448167
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(2-amino-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone (CID 65456262) is (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone is CCc1ccc(CC)c(C(=O)c2cc(C)ccc2N)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone?
The InChIKey is ZZWVLPYDTGXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-13-7-8-14(5-2)15(11-13)18(20)16-10-12(3)6-9-17(16)19/h6-11H,4-5,19H2,1-3H3.
What are the key properties of (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone?
(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone has a molecular weight of 267.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone is sourced from PubChem (CID 65456262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).