(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate

C16H19FN2O2 — CID 105374637

IUPAC(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1C
InChIInChI=1S/C16H19FN2O2/c1-3-6-19-9-14(18)8-15(19)16(20)21-10-12-7-13(17)5-4-11(12)2/h4-5,7-9H,3,6,10,18H2,1-2H3
InChIKeyOAGZEHXNINCSMK-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.28
Rot. Bonds5

About (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate

(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 105374637) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID105374637
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1C
InChIInChI=1S/C16H19FN2O2/c1-3-6-19-9-14(18)8-15(19)16(20)21-10-12-7-13(17)5-4-11(12)2/h4-5,7-9H,3,6,10,18H2,1-2H3
InChIKeyOAGZEHXNINCSMK-UHFFFAOYSA-N
XLogP3.28
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 102619606
(2-bromo-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61316048
(4-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315483
(4-chloro-2-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 114857740
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
(4-chloro-3-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 107885792
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
CID 105374630
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297925
[2-(butylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61485932

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate (CID 105374637) is (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCc1cc(F)ccc1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is OAGZEHXNINCSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-6-19-9-14(18)8-15(19)16(20)21-10-12-7-13(17)5-4-11(12)2/h4-5,7-9H,3,6,10,18H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 105374637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).