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

C16H15BrClN — CID 107850051

IUPACN-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc(CNC2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C16H15BrClN/c17-16-9-14(18)6-5-13(16)10-19-15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15,19H,7-8,10H2
InChIKeyHQYRXNQXJKPYOM-UHFFFAOYSA-N
MW336.66 g/mol
LogP4.36
Rot. Bonds3

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

N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 107850051) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID107850051
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC NameN-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc(CNC2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C16H15BrClN/c17-16-9-14(18)6-5-13(16)10-19-15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15,19H,7-8,10H2
InChIKeyHQYRXNQXJKPYOM-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-N-(3-bromobenzyl)-1-(4-chlorophenyl)ethan-1-amine
CID 28645148
(1'S,2R)-N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)spiro[1,2-dihydroindene-3,2'-cyclohexane]-1'-amine
CID 134957803
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43424198
N-[(2-bromo-5-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine
CID 43489015
N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine
CID 43489025
N-[(2-bromo-5-fluorophenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43494816
N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43494824
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43652123
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 54902089
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 54902509
N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 60719256
1-(2-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 61652312

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 107850051) is N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is Clc1ccc(CNC2Cc3ccccc3C2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is HQYRXNQXJKPYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-16-9-14(18)6-5-13(16)10-19-15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15,19H,7-8,10H2.
What are the key properties of N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 336.66 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107850051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).