2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide

C14H21FN2O — CID 60696807

IUPAC2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(NCC(=O)N(C)C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(2)17(4)14(18)9-16-11(3)12-6-5-7-13(15)8-12/h5-8,10-11,16H,9H2,1-4H3
InChIKeyMGUXKCJEYCHFDV-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.34
Rot. Bonds5

About 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide

2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 60696807) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID60696807
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(NCC(=O)N(C)C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(2)17(4)14(18)9-16-11(3)12-6-5-7-13(15)8-12/h5-8,10-11,16H,9H2,1-4H3
InChIKeyMGUXKCJEYCHFDV-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

N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81360695
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
2-fluoro-4-[[1-(3-fluorophenyl)ethylamino]methyl]benzoic acid
CID 106699898
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide (CID 60696807) is 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide is CC(NCC(=O)N(C)C(C)C)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is MGUXKCJEYCHFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)17(4)14(18)9-16-11(3)12-6-5-7-13(15)8-12/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide 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 2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60696807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).