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

C15H13BrClN — CID 81263302

IUPACN-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(NC2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrClN/c16-13-9-11(17)6-8-15(13)18-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,18H,5,7H2
InChIKeyBHTCSWSDZDVTSC-UHFFFAOYSA-N
MW322.63 g/mol
LogP5.20
Rot. Bonds2

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

N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 81263302) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID81263302
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC NameN-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(NC2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrClN/c16-13-9-11(17)6-8-15(13)18-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,18H,5,7H2
InChIKeyBHTCSWSDZDVTSC-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.63
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107597542
3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 82789255
N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43742304
4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide
CID 43745883
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
N-(4-chloro-2-fluorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981250
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
2-bromo-4-chloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 81263184

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 81263302) is N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1ccc(NC2CCc3ccccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BHTCSWSDZDVTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-13-9-11(17)6-8-15(13)18-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,18H,5,7H2.
What are the key properties of N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 322.63 g/mol, XLogP of 5.20, 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-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81263302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).