2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide

C14H21BrN2O — CID 106344282

IUPAC2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
SMILESCCC(NC(C(N)=O)C(C)C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-4-12(10-6-5-7-11(15)8-10)17-13(9(2)3)14(16)18/h5-9,12-13,17H,4H2,1-3H3,(H2,16,18)
InChIKeyVONKGWLCZFFTNX-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.00
Rot. Bonds6

About 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide

2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide (PubChem CID 106344282) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
PubChem CID106344282
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
SMILESCCC(NC(C(N)=O)C(C)C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-4-12(10-6-5-7-11(15)8-10)17-13(9(2)3)14(16)18/h5-9,12-13,17H,4H2,1-3H3,(H2,16,18)
InChIKeyVONKGWLCZFFTNX-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
CID 113262006
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
CID 103729643
N-[1-(3-bromophenyl)propyl]but-3-yn-2-amine
CID 114415261
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
methyl 2-(3-bromophenyl)-2-(butan-2-ylamino)acetate
CID 54908509
methyl 2-[1-(3-bromophenyl)ethylamino]butanoate
CID 113292365

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide?
The IUPAC name of 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide (CID 106344282) is 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide?
The canonical SMILES for 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide is CCC(NC(C(N)=O)C(C)C)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide?
The InChIKey is VONKGWLCZFFTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-12(10-6-5-7-11(15)8-10)17-13(9(2)3)14(16)18/h5-9,12-13,17H,4H2,1-3H3,(H2,16,18).
What are the key properties of 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide?
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide is sourced from PubChem (CID 106344282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).