1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one

C16H16FNO — CID 116595869

IUPAC1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
SMILESNCc1ccccc1CC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H16FNO/c17-15-7-3-4-12(8-15)9-16(19)10-13-5-1-2-6-14(13)11-18/h1-8H,9-11,18H2
InChIKeyDLUNEEGJQDKTAU-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one

1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one (PubChem CID 116595869) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
PubChem CID116595869
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
SMILESNCc1ccccc1CC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H16FNO/c17-15-7-3-4-12(8-15)9-16(19)10-13-5-1-2-6-14(13)11-18/h1-8H,9-11,18H2
InChIKeyDLUNEEGJQDKTAU-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
CID 103052423
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
CID 117266417
3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one (CID 116595869) is 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one is NCc1ccccc1CC(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one?
The InChIKey is DLUNEEGJQDKTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-7-3-4-12(8-15)9-16(19)10-13-5-1-2-6-14(13)11-18/h1-8H,9-11,18H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one?
1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one has a molecular weight of 257.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one is sourced from PubChem (CID 116595869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).