(4-bromophenyl)methyl 4-(methylamino)benzoate

C15H14BrNO2 — CID 104698988

IUPAC(4-bromophenyl)methyl 4-(methylamino)benzoate
SMILESCNc1ccc(C(=O)OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO2/c1-17-14-8-4-12(5-9-14)15(18)19-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKeyDBAUXLBEFVYILP-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.85
Rot. Bonds4

About (4-bromophenyl)methyl 4-(methylamino)benzoate

(4-bromophenyl)methyl 4-(methylamino)benzoate (PubChem CID 104698988) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (4-bromophenyl)methyl 4-(methylamino)benzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 4-(methylamino)benzoate
PubChem CID104698988
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(4-bromophenyl)methyl 4-(methylamino)benzoate
SMILESCNc1ccc(C(=O)OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO2/c1-17-14-8-4-12(5-9-14)15(18)19-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKeyDBAUXLBEFVYILP-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670152
benzyl 4-bromobenzoate
CID 603177
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
CID 1305384
4-O-[(4-bromophenyl)methyl] 1-O-butyl benzene-1,4-dicarboxylate
CID 91733678
(4-bromophenyl)methyl pyridine-4-carboxylate
CID 1094796
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488892
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
2-propoxyethyl 4-(methylamino)benzoate
CID 104698977
(4-bromophenyl)methyl 3-amino-4-(dimethylamino)benzoate
CID 61320857
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 4-(methylamino)benzoate?
The IUPAC name of (4-bromophenyl)methyl 4-(methylamino)benzoate (CID 104698988) is (4-bromophenyl)methyl 4-(methylamino)benzoate.
What is the SMILES notation for (4-bromophenyl)methyl 4-(methylamino)benzoate?
The canonical SMILES for (4-bromophenyl)methyl 4-(methylamino)benzoate is CNc1ccc(C(=O)OCc2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)methyl 4-(methylamino)benzoate?
The InChIKey is DBAUXLBEFVYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-17-14-8-4-12(5-9-14)15(18)19-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3.
What are the key properties of (4-bromophenyl)methyl 4-(methylamino)benzoate?
(4-bromophenyl)methyl 4-(methylamino)benzoate has a molecular weight of 320.19 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 4-(methylamino)benzoate is sourced from PubChem (CID 104698988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).