2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride

C15H24BrClN2O2 — CID 119804711

IUPAC2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(C)Oc1ccccc1Br.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-4-10(2)14(17)15(19)18-9-11(3)20-13-8-6-5-7-12(13)16;/h5-8,10-11,14H,4,9,17H2,1-3H3,(H,18,19);1H
InChIKeyLGITZFLKJICKHQ-UHFFFAOYSA-N
MW379.73 g/mol
LogP3.13
Rot. Bonds7

About 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride

2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride (PubChem CID 119804711) has the molecular formula C15H24BrClN2O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
PubChem CID119804711
Molecular FormulaC15H24BrClN2O2
Molecular Weight379.73 g/mol
Exact Mass378.07
IUPAC Name2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(C)Oc1ccccc1Br.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-4-10(2)14(17)15(19)18-9-11(3)20-13-8-6-5-7-12(13)16;/h5-8,10-11,14H,4,9,17H2,1-3H3,(H,18,19);1H
InChIKeyLGITZFLKJICKHQ-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795023
3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119952093
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
N-[2-[[N-[2-(2-bromophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111998020
2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride (CID 119804711) is 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(C)Oc1ccccc1Br.Cl.
What is the InChIKey of 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride?
The InChIKey is LGITZFLKJICKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2.ClH/c1-4-10(2)14(17)15(19)18-9-11(3)20-13-8-6-5-7-12(13)16;/h5-8,10-11,14H,4,9,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride has a molecular weight of 379.73 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119804711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).