(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone

C16H16FNO — CID 116613286

IUPAC(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FNO/c1-18-10-9-12-5-2-3-8-15(12)16(19)13-6-4-7-14(17)11-13/h2-8,11,18H,9-10H2,1H3
InChIKeyMXQDVZDFLXOLKC-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.82
Rot. Bonds5

About (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone

(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 116613286) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID116613286
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FNO/c1-18-10-9-12-5-2-3-8-15(12)16(19)13-6-4-7-14(17)11-13/h2-8,11,18H,9-10H2,1H3
InChIKeyMXQDVZDFLXOLKC-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613239
(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613281
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
2-[2-(methylamino)ethyl]benzamide
CID 69094527
(2,4-dimethylphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613156
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone
CID 116613160
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 116613286) is (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone is CNCCc1ccccc1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is MXQDVZDFLXOLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-18-10-9-12-5-2-3-8-15(12)16(19)13-6-4-7-14(17)11-13/h2-8,11,18H,9-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 257.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 116613286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).