7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine

C9H9BrClN — CID 103719126

IUPAC7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(Cl)ccc(Br)c21
InChIInChI=1S/C9H9BrClN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2
InChIKeyASBHCOTWROHLPI-UHFFFAOYSA-N
MW246.53 g/mol
LogP3.05
Rot. Bonds

About 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine

7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine (PubChem CID 103719126) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
PubChem CID103719126
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(Cl)ccc(Br)c21
InChIInChI=1S/C9H9BrClN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2
InChIKeyASBHCOTWROHLPI-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 50988684
(R)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 53485127
7-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 127264661
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
4-chloro-2,3-dihydro-1H-inden-1-amine
CID 16244317
4-bromo-2,3-dihydro-1H-inden-1-amine
CID 43189451
4-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 105540732
4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
CID 115894734
6-bromo-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 129998677
[6-Bromo-3-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013658
[3-Bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine
CID 171013867
7-Chloro-2,3-dihydro-1H-inden-1-amine
CID 20376968

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine (CID 103719126) is 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine is NC1CCc2c(Cl)ccc(Br)c21.
What is the InChIKey of 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ASBHCOTWROHLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2.
What are the key properties of 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 246.53 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103719126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).