N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride

C16H26BrClN2O2 — CID 119571557

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCOc1ccc(C)cc1Br.Cl
InChIInChI=1S/C16H25BrN2O2.ClH/c1-4-16(5-2,11-18)19-15(20)8-9-21-14-7-6-12(3)10-13(14)17;/h6-7,10H,4-5,8-9,11,18H2,1-3H3,(H,19,20);1H
InChIKeyDMXUWHVCHHVULY-UHFFFAOYSA-N
MW393.75 g/mol
LogP3.58
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride (PubChem CID 119571557) has the molecular formula C16H26BrClN2O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
PubChem CID119571557
Molecular FormulaC16H26BrClN2O2
Molecular Weight393.75 g/mol
Exact Mass392.09
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCOc1ccc(C)cc1Br.Cl
InChIInChI=1S/C16H25BrN2O2.ClH/c1-4-16(5-2,11-18)19-15(20)8-9-21-14-7-6-12(3)10-13(14)17;/h6-7,10H,4-5,8-9,11,18H2,1-3H3,(H,19,20);1H
InChIKeyDMXUWHVCHHVULY-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.75
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
CID 119643302
4-[3-(2-bromo-4-methylphenoxy)propanoylamino]butanamide
CID 56820513
3-(2-bromo-4-methylphenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119503723
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
3-(2-bromo-4-methylphenoxy)propanethioamide
CID 28602618
N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119571870
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride (CID 119571557) is N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCOc1ccc(C)cc1Br.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride?
The InChIKey is DMXUWHVCHHVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2.ClH/c1-4-16(5-2,11-18)19-15(20)8-9-21-14-7-6-12(3)10-13(14)17;/h6-7,10H,4-5,8-9,11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride has a molecular weight of 393.75 g/mol, XLogP of 3.58, 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-bromo-4-methylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119571557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).