(3-chlorophenyl)methyl 4-amino-3-methylbenzoate

C15H14ClNO2 — CID 61320679

IUPAC(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C15H14ClNO2/c1-10-7-12(5-6-14(10)17)15(18)19-9-11-3-2-4-13(16)8-11/h2-8H,9,17H2,1H3
InChIKeyYLWDPMXDGMCPFL-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.59
Rot. Bonds3

About (3-chlorophenyl)methyl 4-amino-3-methylbenzoate

(3-chlorophenyl)methyl 4-amino-3-methylbenzoate (PubChem CID 61320679) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 4-amino-3-methylbenzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
PubChem CID61320679
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C15H14ClNO2/c1-10-7-12(5-6-14(10)17)15(18)19-9-11-3-2-4-13(16)8-11/h2-8H,9,17H2,1H3
InChIKeyYLWDPMXDGMCPFL-UHFFFAOYSA-N
XLogP3.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-chlorophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275062
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
[3-[(3-amino-4-chlorobenzoyl)oxymethyl]phenyl]methyl 3-amino-4-chlorobenzoate
CID 16578140
(3-chlorophenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 61314686
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
4-O-[(3-chlorophenyl)methyl] 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735460
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 4-amino-3-methylbenzoate?
The IUPAC name of (3-chlorophenyl)methyl 4-amino-3-methylbenzoate (CID 61320679) is (3-chlorophenyl)methyl 4-amino-3-methylbenzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 4-amino-3-methylbenzoate?
The canonical SMILES for (3-chlorophenyl)methyl 4-amino-3-methylbenzoate is Cc1cc(C(=O)OCc2cccc(Cl)c2)ccc1N.
What is the InChIKey of (3-chlorophenyl)methyl 4-amino-3-methylbenzoate?
The InChIKey is YLWDPMXDGMCPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-7-12(5-6-14(10)17)15(18)19-9-11-3-2-4-13(16)8-11/h2-8H,9,17H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 4-amino-3-methylbenzoate?
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate has a molecular weight of 275.74 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 4-amino-3-methylbenzoate is sourced from PubChem (CID 61320679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).