(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate

C16H16FNO2 — CID 63933039

IUPAC(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
SMILESNCCc1ccc(C(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2/c17-15-4-2-1-3-14(15)11-20-16(19)13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2
InChIKeyDCSNPZNYNUUVFI-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.68
Rot. Bonds5

About (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate

(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate (PubChem CID 63933039) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
PubChem CID63933039
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
SMILESNCCc1ccc(C(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2/c17-15-4-2-1-3-14(15)11-20-16(19)13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2
InChIKeyDCSNPZNYNUUVFI-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)methyl 4-(2-aminoethyl)benzoate
CID 82824669
(2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
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(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate
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(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
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(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
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(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
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4-O-[(2-fluorophenyl)methyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740361
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
(2-fluorophenyl)methyl 3-fluoro-4-nitrobenzoate
CID 63118911
(2-fluorophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983552
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230111

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate (CID 63933039) is (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate is NCCc1ccc(C(=O)OCc2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate?
The InChIKey is DCSNPZNYNUUVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-4-2-1-3-14(15)11-20-16(19)13-7-5-12(6-8-13)9-10-18/h1-8H,9-11,18H2.
What are the key properties of (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate?
(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate has a molecular weight of 273.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate is sourced from PubChem (CID 63933039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).