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

C14H18BrNO — CID 103846471

IUPAC4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(CNC2CCc3c(Br)cccc32)COC1
InChIInChI=1S/C14H18BrNO/c1-14(8-17-9-14)7-16-13-6-5-10-11(13)3-2-4-12(10)15/h2-4,13,16H,5-9H2,1H3
InChIKeyDGMPKYSHQCHFNY-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.06
Rot. Bonds3

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

4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103846471) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103846471
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(CNC2CCc3c(Br)cccc32)COC1
InChIInChI=1S/C14H18BrNO/c1-14(8-17-9-14)7-16-13-6-5-10-11(13)3-2-4-12(10)15/h2-4,13,16H,5-9H2,1H3
InChIKeyDGMPKYSHQCHFNY-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846495
4-fluoro-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79491863
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 63822385
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2,3-dihydro-1H-inden-1-amine
CID 103648457
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
CID 103901793
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103910649
4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 114185903
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 103846471) is 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is CC1(CNC2CCc3c(Br)cccc32)COC1.
What is the InChIKey of 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DGMPKYSHQCHFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-14(8-17-9-14)7-16-13-6-5-10-11(13)3-2-4-12(10)15/h2-4,13,16H,5-9H2,1H3.
What are the key properties of 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 296.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103846471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).