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

C14H21FN2O — CID 62851853

IUPAC3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-4-16-9-10(2)14(18)17-11(3)12-7-5-6-8-13(12)15/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyBHYCKCZJYVDBEX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.25
Rot. Bonds6

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

3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide (PubChem CID 62851853) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
PubChem CID62851853
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-4-16-9-10(2)14(18)17-11(3)12-7-5-6-8-13(12)15/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyBHYCKCZJYVDBEX-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62852524
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
CID 81380522
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
ethyl 2-[1-(2-fluorophenyl)ethylamino]-2-oxoacetate
CID 54964438
2-cyclopentyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51968745
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide (CID 62851853) is 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide is CCNCC(C)C(=O)NC(C)c1ccccc1F.
What is the InChIKey of 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is BHYCKCZJYVDBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-16-9-10(2)14(18)17-11(3)12-7-5-6-8-13(12)15/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide?
3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62851853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).