5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C14H16BrN3O — CID 103931619

IUPAC5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3cc(Br)ccc32)no1
InChIInChI=1S/C14H16BrN3O/c1-9-17-14(18-19-9)6-7-16-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8,13,16H,2,5-7H2,1H3
InChIKeyYVMDJVDFURMSSC-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.96
Rot. Bonds4

About 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103931619) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103931619
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3cc(Br)ccc32)no1
InChIInChI=1S/C14H16BrN3O/c1-9-17-14(18-19-9)6-7-16-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8,13,16H,2,5-7H2,1H3
InChIKeyYVMDJVDFURMSSC-UHFFFAOYSA-N
XLogP2.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777124
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 106413319
3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106704291
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107911419
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103931495
9-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 103931615
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115894121
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 63420279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103931619) is 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1nc(CCNC2CCc3cc(Br)ccc32)no1.
What is the InChIKey of 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YVMDJVDFURMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-17-14(18-19-9)6-7-16-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,8,13,16H,2,5-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 322.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103931619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).