N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide

C15H23FN2O2 — CID 119569535

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOc1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-3-15(4-2,11-17)18-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyMSBVLNPWKBFQHZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide (PubChem CID 119569535) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
PubChem CID119569535
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOc1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-3-15(4-2,11-17)18-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyMSBVLNPWKBFQHZ-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
CID 107845510
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119571159
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
CID 119571557
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide (CID 119569535) is N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide is CCC(CC)(CN)NC(=O)CCOc1ccccc1F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide?
The InChIKey is MSBVLNPWKBFQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-15(4-2,11-17)18-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide has a molecular weight of 282.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 119569535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).