(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone

C17H20N2O — CID 115483333

IUPAC(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(N)cc2N)cc1CC
InChIInChI=1S/C17H20N2O/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10H,3-4,18-19H2,1-2H3
InChIKeyOEFYQNLBNKKLRX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.21
Rot. Bonds4

About (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone

(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone (PubChem CID 115483333) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone
PubChem CID115483333
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(N)cc2N)cc1CC
InChIInChI=1S/C17H20N2O/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10H,3-4,18-19H2,1-2H3
InChIKeyOEFYQNLBNKKLRX-UHFFFAOYSA-N
XLogP3.21
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone
CID 115483328
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
CID 115481807
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
3-amino-4-ethylbenzamide
CID 19977641
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone (CID 115483333) is (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone is CCc1ccc(C(=O)c2ccc(N)cc2N)cc1CC.
What is the InChIKey of (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone?
The InChIKey is OEFYQNLBNKKLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10H,3-4,18-19H2,1-2H3.
What are the key properties of (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone?
(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone has a molecular weight of 268.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(3,4-diethylphenyl)methanone is sourced from PubChem (CID 115483333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).