1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine

C15H20BrN3O — CID 122141633

IUPAC1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
SMILESCCC(Cc1ccccc1Br)N(C)Cc1nnc(C)o1
InChIInChI=1S/C15H20BrN3O/c1-4-13(9-12-7-5-6-8-14(12)16)19(3)10-15-18-17-11(2)20-15/h5-8,13H,4,9-10H2,1-3H3
InChIKeyZCLHGWLASBICJZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine

1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine (PubChem CID 122141633) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
PubChem CID122141633
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
SMILESCCC(Cc1ccccc1Br)N(C)Cc1nnc(C)o1
InChIInChI=1S/C15H20BrN3O/c1-4-13(9-12-7-5-6-8-14(12)16)19(3)10-15-18-17-11(2)20-15/h5-8,13H,4,9-10H2,1-3H3
InChIKeyZCLHGWLASBICJZ-UHFFFAOYSA-N
XLogP3.59
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 124505843
2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 62435018
2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62435019
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072605
(2R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124752794
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642980
2-[[(1R)-1-(2-bromophenyl)ethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 97224798
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine (CID 122141633) is 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine is CCC(Cc1ccccc1Br)N(C)Cc1nnc(C)o1.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
The InChIKey is ZCLHGWLASBICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-13(9-12-7-5-6-8-14(12)16)19(3)10-15-18-17-11(2)20-15/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine has a molecular weight of 338.25 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 122141633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).