N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H17BrClN — CID 83065922

IUPACN-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClN/c1-17(2)10-11-3-6-13(19)9-15(11)16(17)20-14-7-4-12(18)5-8-14/h3-9,16,20H,10H2,1-2H3
InChIKeyYGNGJEQQJFDLNX-UHFFFAOYSA-N
MW350.69 g/mol
LogP5.84
Rot. Bonds2

About N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83065922) has the molecular formula C17H17BrClN and a molecular weight of 350.69 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83065922
Molecular FormulaC17H17BrClN
Molecular Weight350.69 g/mol
Exact Mass349.02
IUPAC NameN-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClN/c1-17(2)10-11-3-6-13(19)9-15(11)16(17)20-14-7-4-12(18)5-8-14/h3-9,16,20H,10H2,1-2H3
InChIKeyYGNGJEQQJFDLNX-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.69
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83065922) is N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is YGNGJEQQJFDLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN/c1-17(2)10-11-3-6-13(19)9-15(11)16(17)20-14-7-4-12(18)5-8-14/h3-9,16,20H,10H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 350.69 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83065922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).