N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide

C14H21FN2O — CID 103106950

IUPACN-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-17(4)14(18)11(3)16-10(2)12-7-6-8-13(15)9-12/h6-11,16H,5H2,1-4H3
InChIKeyXHOKSMDJOFUYIN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide

N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide (PubChem CID 103106950) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
PubChem CID103106950
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-17(4)14(18)11(3)16-10(2)12-7-6-8-13(15)9-12/h6-11,16H,5H2,1-4H3
InChIKeyXHOKSMDJOFUYIN-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
CID 60720096
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
CID 43426627
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide (CID 103106950) is N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide is CCN(C)C(=O)C(C)NC(C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide?
The InChIKey is XHOKSMDJOFUYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-17(4)14(18)11(3)16-10(2)12-7-6-8-13(15)9-12/h6-11,16H,5H2,1-4H3.
What are the key properties of N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide?
N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 103106950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).