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

C16H22BrNO — CID 103846495

IUPAC4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(CNC2CCc3c(Br)cccc32)CCOCC1
InChIInChI=1S/C16H22BrNO/c1-16(7-9-19-10-8-16)11-18-15-6-5-12-13(15)3-2-4-14(12)17/h2-4,15,18H,5-11H2,1H3
InChIKeyRETSHUARRJHJBT-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.84
Rot. Bonds3

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

4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103846495) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103846495
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(CNC2CCc3c(Br)cccc32)CCOCC1
InChIInChI=1S/C16H22BrNO/c1-16(7-9-19-10-8-16)11-18-15-6-5-12-13(15)3-2-4-14(12)17/h2-4,15,18H,5-11H2,1H3
InChIKeyRETSHUARRJHJBT-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
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-fluoro-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79491863
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
CID 103901793
6-methyl-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103903344
N-[(4-methyloxan-4-yl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925172
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103910649
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine
CID 103911458
5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903395
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 103846495) is 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is CC1(CNC2CCc3c(Br)cccc32)CCOCC1.
What is the InChIKey of 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RETSHUARRJHJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-16(7-9-19-10-8-16)11-18-15-6-5-12-13(15)3-2-4-14(12)17/h2-4,15,18H,5-11H2,1H3.
What are the key properties of 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 324.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103846495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).