N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide

C15H22BrFN2O2 — CID 119570150

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2O2/c1-4-15(5-2,9-18)19-14(20)10(3)21-13-7-6-11(17)8-12(13)16/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20)
InChIKeyUQMLPCIUSPSYOJ-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.99
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide

N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide (PubChem CID 119570150) has the molecular formula C15H22BrFN2O2 and a molecular weight of 361.26 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
PubChem CID119570150
Molecular FormulaC15H22BrFN2O2
Molecular Weight361.26 g/mol
Exact Mass360.08
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2O2/c1-4-15(5-2,9-18)19-14(20)10(3)21-13-7-6-11(17)8-12(13)16/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20)
InChIKeyUQMLPCIUSPSYOJ-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119522994
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119569334
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenoxy)propanamide;hydrochloride
CID 119571125
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide (CID 119570150) is N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide is CCC(CC)(CN)NC(=O)C(C)Oc1ccc(F)cc1Br.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide?
The InChIKey is UQMLPCIUSPSYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O2/c1-4-15(5-2,9-18)19-14(20)10(3)21-13-7-6-11(17)8-12(13)16/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide has a molecular weight of 361.26 g/mol, XLogP of 2.99, 7 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]-2-(2-bromo-4-fluorophenoxy)propanamide is sourced from PubChem (CID 119570150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).