2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide

C14H21FN2O2 — CID 107694652

IUPAC2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(F)cc1CN
InChIInChI=1S/C14H21FN2O2/c1-9(2)8-17-14(18)10(3)19-13-5-4-12(15)6-11(13)7-16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyJMTLAWSWANVYHQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide

2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 107694652) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
PubChem CID107694652
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(F)cc1CN
InChIInChI=1S/C14H21FN2O2/c1-9(2)8-17-14(18)10(3)19-13-5-4-12(15)6-11(13)7-16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyJMTLAWSWANVYHQ-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
5-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82910941
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide (CID 107694652) is 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccc(F)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is JMTLAWSWANVYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)8-17-14(18)10(3)19-13-5-4-12(15)6-11(13)7-16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide?
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107694652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).