(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate

C17H18FNO2 — CID 106592457

IUPAC(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
SMILESCc1cc(F)ccc1COC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C17H18FNO2/c1-11-8-15(18)7-6-14(11)10-21-17(20)12(2)13-4-3-5-16(19)9-13/h3-9,12H,10,19H2,1-2H3
InChIKeyRKKYFKVJWIEFSW-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.56
Rot. Bonds4

About (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate

(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate (PubChem CID 106592457) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
PubChem CID106592457
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
SMILESCc1cc(F)ccc1COC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C17H18FNO2/c1-11-8-15(18)7-6-14(11)10-21-17(20)12(2)13-4-3-5-16(19)9-13/h3-9,12H,10,19H2,1-2H3
InChIKeyRKKYFKVJWIEFSW-UHFFFAOYSA-N
XLogP3.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.56
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

(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate
CID 114348583
(2-cyanophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592473
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592387
bromo 2-(3-fluorophenyl)propanoate
CID 174735540
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
CID 114348586
2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
CID 106592581
(4-fluoro-2-methylphenyl)methyl 3-amino-2-methoxybenzoate
CID 114348602
(4-fluoro-2-methylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706195
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate?
The IUPAC name of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate (CID 106592457) is (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate.
What is the SMILES notation for (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate?
The canonical SMILES for (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate is Cc1cc(F)ccc1COC(=O)C(C)c1cccc(N)c1.
What is the InChIKey of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate?
The InChIKey is RKKYFKVJWIEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-8-15(18)7-6-14(11)10-21-17(20)12(2)13-4-3-5-16(19)9-13/h3-9,12H,10,19H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate?
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate has a molecular weight of 287.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate is sourced from PubChem (CID 106592457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).