2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide

C14H21FN2O — CID 115187094

IUPAC2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)CCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-11(10-16)14(18)17(2)9-8-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyDSAXFXFULPZFQZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.81
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide

2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide (PubChem CID 115187094) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
PubChem CID115187094
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)CCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-11(10-16)14(18)17(2)9-8-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyDSAXFXFULPZFQZ-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876
N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187422
N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
CID 113055638
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
CID 115187078
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
3-(aminomethyl)-1-(2-fluorophenyl)hexan-2-one
CID 116574562
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide (CID 115187094) is 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide is CCC(CN)C(=O)N(C)CCc1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide?
The InChIKey is DSAXFXFULPZFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-11(10-16)14(18)17(2)9-8-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide?
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115187094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).