2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone

C17H18FNO — CID 60649817

IUPAC2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C17H18FNO/c1-2-19(12-14-6-4-3-5-7-14)13-17(20)15-8-10-16(18)11-9-15/h3-11H,2,12-13H2,1H3
InChIKeyKLMJJDZOLRMWCR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.53
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone

2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone (PubChem CID 60649817) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
PubChem CID60649817
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C17H18FNO/c1-2-19(12-14-6-4-3-5-7-14)13-17(20)15-8-10-16(18)11-9-15/h3-11H,2,12-13H2,1H3
InChIKeyKLMJJDZOLRMWCR-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
N,N-diethylethanamine;4-fluorobenzoic acid
CID 71324122
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
CID 15536548
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone (CID 60649817) is 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone is CCN(CC(=O)c1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
The InChIKey is KLMJJDZOLRMWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-19(12-14-6-4-3-5-7-14)13-17(20)15-8-10-16(18)11-9-15/h3-11H,2,12-13H2,1H3.
What are the key properties of 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 60649817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).