N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide

C14H21FN2O — CID 63756056

IUPACN-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
SMILESCCCCN(CCN)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-2-3-9-17(10-8-16)14(18)11-12-6-4-5-7-13(12)15/h4-7H,2-3,8-11,16H2,1H3
InChIKeyLYDRLGKICFEKHY-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.96
Rot. Bonds7

About N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide

N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide (PubChem CID 63756056) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
PubChem CID63756056
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
SMILESCCCCN(CCN)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-2-3-9-17(10-8-16)14(18)11-12-6-4-5-7-13(12)15/h4-7H,2-3,8-11,16H2,1H3
InChIKeyLYDRLGKICFEKHY-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
N-butan-2-yl-N-butyl-2-(2-fluorophenyl)acetamide
CID 78805640
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
N-(2-aminoethyl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 61349722
methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
N-(2-aminoethyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 61350278

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide (CID 63756056) is N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide is CCCCN(CCN)C(=O)Cc1ccccc1F.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide?
The InChIKey is LYDRLGKICFEKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-3-9-17(10-8-16)14(18)11-12-6-4-5-7-13(12)15/h4-7H,2-3,8-11,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide?
N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 63756056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).