1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine

C12H16BrN — CID 117388146

IUPAC1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
SMILESCC(N)Cc1cc(Br)c2c(c1)CCC2
InChIInChI=1S/C12H16BrN/c1-8(14)5-9-6-10-3-2-4-11(10)12(13)7-9/h6-8H,2-5,14H2,1H3
InChIKeyDKXAXMYPUZNBEB-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.83
Rot. Bonds2

About 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine

1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine (PubChem CID 117388146) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
PubChem CID117388146
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
SMILESCC(N)Cc1cc(Br)c2c(c1)CCC2
InChIInChI=1S/C12H16BrN/c1-8(14)5-9-6-10-3-2-4-11(10)12(13)7-9/h6-8H,2-5,14H2,1H3
InChIKeyDKXAXMYPUZNBEB-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
CID 117388145
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
CID 117356903
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84702409
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117449610
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)butanal
CID 117421033
1-[3,5-dibromo-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 107739802
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84708520
2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 84803876
2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
CID 84712529
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
The IUPAC name of 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine (CID 117388146) is 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine.
What is the SMILES notation for 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
The canonical SMILES for 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine is CC(N)Cc1cc(Br)c2c(c1)CCC2.
What is the InChIKey of 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
The InChIKey is DKXAXMYPUZNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8(14)5-9-6-10-3-2-4-11(10)12(13)7-9/h6-8H,2-5,14H2,1H3.
What are the key properties of 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine has a molecular weight of 254.17 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine is sourced from PubChem (CID 117388146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).