N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine

C16H15BrClN — CID 115348594

IUPACN-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc(NC2Cc3ccc(Cl)cc3C2)c(Br)c1
InChIInChI=1S/C16H15BrClN/c1-10-2-5-16(15(17)6-10)19-14-8-11-3-4-13(18)7-12(11)9-14/h2-7,14,19H,8-9H2,1H3
InChIKeyKZLHEGSGXJWRRO-UHFFFAOYSA-N
MW336.66 g/mol
LogP4.99
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine

N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348594) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
PubChem CID115348594
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC NameN-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc(NC2Cc3ccc(Cl)cc3C2)c(Br)c1
InChIInChI=1S/C16H15BrClN/c1-10-2-5-16(15(17)6-10)19-14-8-11-3-4-13(18)7-12(11)9-14/h2-7,14,19H,8-9H2,1H3
InChIKeyKZLHEGSGXJWRRO-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769
1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115348778
5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349039
N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348973
N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348913
N-(2-bromo-4-methylphenyl)thian-4-amine
CID 43511235
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 115349151
5-chloro-N-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349107
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 115348592

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine (CID 115348594) is N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine is Cc1ccc(NC2Cc3ccc(Cl)cc3C2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KZLHEGSGXJWRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c1-10-2-5-16(15(17)6-10)19-14-8-11-3-4-13(18)7-12(11)9-14/h2-7,14,19H,8-9H2,1H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 336.66 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).