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

C18H20BrNO — CID 107874174

IUPAC(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2cc(Br)cc(N)c2C)c1
InChIInChI=1S/C18H20BrNO/c1-4-12-6-7-13(5-2)16(8-12)18(21)15-9-14(19)10-17(20)11(15)3/h6-10H,4-5,20H2,1-3H3
InChIKeyADSZKOUEDBCHBD-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.70
Rot. Bonds4

About (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone

(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone (PubChem CID 107874174) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
PubChem CID107874174
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2cc(Br)cc(N)c2C)c1
InChIInChI=1S/C18H20BrNO/c1-4-12-6-7-13(5-2)16(8-12)18(21)15-9-14(19)10-17(20)11(15)3/h6-10H,4-5,20H2,1-3H3
InChIKeyADSZKOUEDBCHBD-UHFFFAOYSA-N
XLogP4.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.70
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

(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
CID 65456262
(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone
CID 107874173
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
pyridin-4-ylmethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873634
(3,4-dimethylphenyl)methyl 3-amino-5-bromo-2-methylbenzoate
CID 107873811
(3-amino-5-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 107874180
(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone
CID 107949896
(2-amino-2-oxoethyl) 3-amino-5-bromo-2-methylbenzoate
CID 107873717
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873761
(2,4-difluorophenyl)methyl 3-amino-5-bromo-2-methylbenzoate
CID 107873911
(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215685

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone (CID 107874174) is (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone is CCc1ccc(CC)c(C(=O)c2cc(Br)cc(N)c2C)c1.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone?
The InChIKey is ADSZKOUEDBCHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-4-12-6-7-13(5-2)16(8-12)18(21)15-9-14(19)10-17(20)11(15)3/h6-10H,4-5,20H2,1-3H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone has a molecular weight of 346.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone is sourced from PubChem (CID 107874174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).