N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide

C12H17FN2O — CID 115733563

IUPACN-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(8-14)15(2)12(16)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8,14H2,1-2H3
InChIKeyDHAFROHKXKLQHH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.17
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 115733563) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID115733563
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(8-14)15(2)12(16)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8,14H2,1-2H3
InChIKeyDHAFROHKXKLQHH-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 119585098
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-(1-aminopropan-2-yl)-3-(2,5-difluorophenyl)-N-methylpropanamide;hydrochloride
CID 119584126
N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide
CID 119583792
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
CID 63754035
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide (CID 115733563) is N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide is CC(CN)N(C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is DHAFROHKXKLQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(8-14)15(2)12(16)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 224.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 115733563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).