(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate

C16H16FNO2 — CID 81317645

IUPAC(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
SMILESNCc1ccccc1CC(=O)OCc1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-15-8-4-3-7-14(15)11-20-16(19)9-12-5-1-2-6-13(12)10-18/h1-8H,9-11,18H2
InChIKeyOQFBNMWVOYYDKT-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.57
Rot. Bonds5

About (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate

(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate (PubChem CID 81317645) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
PubChem CID81317645
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
SMILESNCc1ccccc1CC(=O)OCc1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-15-8-4-3-7-14(15)11-20-16(19)9-12-5-1-2-6-13(12)10-18/h1-8H,9-11,18H2
InChIKeyOQFBNMWVOYYDKT-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
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(2-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760383
fluoro 2-(2-fluorophenyl)acetate
CID 143971314
(2-fluorophenyl)methanamine;trifluoromethanesulfonic acid
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(2-fluorophenyl)methyl 5-aminohexanoate
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate (CID 81317645) is (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate is NCc1ccccc1CC(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate?
The InChIKey is OQFBNMWVOYYDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-8-4-3-7-14(15)11-20-16(19)9-12-5-1-2-6-13(12)10-18/h1-8H,9-11,18H2.
What are the key properties of (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate?
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate has a molecular weight of 273.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate is sourced from PubChem (CID 81317645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).