N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide

C13H19FN2O2 — CID 82314995

IUPACN-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H19FN2O2/c1-9-7-11(3-4-12(9)14)13(18)8-15-5-6-16-10(2)17/h3-4,7,13,15,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyCUMOMSBFMNQKRZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.89
Rot. Bonds6

About N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide

N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide (PubChem CID 82314995) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
PubChem CID82314995
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H19FN2O2/c1-9-7-11(3-4-12(9)14)13(18)8-15-5-6-16-10(2)17/h3-4,7,13,15,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyCUMOMSBFMNQKRZ-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 82116875
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978
2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]-3-hydroxybutanoic acid
CID 82315016
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
CID 115582033
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide (CID 82314995) is N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide is CC(=O)NCCNCC(O)c1ccc(F)c(C)c1.
What is the InChIKey of N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The InChIKey is CUMOMSBFMNQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-7-11(3-4-12(9)14)13(18)8-15-5-6-16-10(2)17/h3-4,7,13,15,18H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide has a molecular weight of 254.30 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide is sourced from PubChem (CID 82314995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).