5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine

C15H20BrNO — CID 115894121

IUPAC5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC=C(C)COCCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO/c1-11(2)10-18-8-7-17-15-6-3-12-9-13(16)4-5-14(12)15/h4-5,9,15,17H,1,3,6-8,10H2,2H3
InChIKeyDWTDMCCMNRKJKC-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.62
Rot. Bonds6

About 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 115894121) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID115894121
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC=C(C)COCCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO/c1-11(2)10-18-8-7-17-15-6-3-12-9-13(16)4-5-14(12)15/h4-5,9,15,17H,1,3,6-8,10H2,2H3
InChIKeyDWTDMCCMNRKJKC-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
1-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 110905317
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
CID 52510873
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide
CID 112672562
5-fluoro-N-[2-(2-methylpropoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115713623
5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103931619
8-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 115894039
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 115894121) is 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine is C=C(C)COCCNC1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DWTDMCCMNRKJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11(2)10-18-8-7-17-15-6-3-12-9-13(16)4-5-14(12)15/h4-5,9,15,17H,1,3,6-8,10H2,2H3.
What are the key properties of 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 310.24 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115894121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).