2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride

C15H24BrClN2O — CID 120829194

IUPAC2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(Cc1cccc(Br)c1)C(=O)NCC(C)NC.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-4-13(15(19)18-10-11(2)17-3)8-12-6-5-7-14(16)9-12;/h5-7,9,11,13,17H,4,8,10H2,1-3H3,(H,18,19);1H
InChIKeyDCVGARPRUJBRBU-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.16
Rot. Bonds7

About 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride

2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride (PubChem CID 120829194) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride
PubChem CID120829194
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC Name2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(Cc1cccc(Br)c1)C(=O)NCC(C)NC.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-4-13(15(19)18-10-11(2)17-3)8-12-6-5-7-14(16)9-12;/h5-7,9,11,13,17H,4,8,10H2,1-3H3,(H,18,19);1H
InChIKeyDCVGARPRUJBRBU-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433677
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
N-[2-(3-bromophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186719
ethyl 2-[(3-bromophenyl)methyl]-3-(methylamino)propanoate
CID 44890952
2-[[2-[(3-bromophenyl)methyl]butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245274
2-[4-[[2-[(3-bromophenyl)methyl]butanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698116
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
3-[2-[(3-bromophenyl)methyl]butanoyl-methylamino]-2-methylpropanoic acid
CID 119228760
2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride
CID 120832362
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
CID 115705338

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride (CID 120829194) is 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride is CCC(Cc1cccc(Br)c1)C(=O)NCC(C)NC.Cl.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride?
The InChIKey is DCVGARPRUJBRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-4-13(15(19)18-10-11(2)17-3)8-12-6-5-7-14(16)9-12;/h5-7,9,11,13,17H,4,8,10H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride?
2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 120829194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).