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

C18H19BrClN — CID 83065761

IUPACN-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCc1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN/c1-18(2)10-13-5-8-15(20)9-16(13)17(18)21-11-12-3-6-14(19)7-4-12/h3-9,17,21H,10-11H2,1-2H3
InChIKeyDSJXBXNYJPKMGS-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.52
Rot. Bonds3

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

N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83065761) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83065761
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC NameN-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCc1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN/c1-18(2)10-13-5-8-15(20)9-16(13)17(18)21-11-12-3-6-14(19)7-4-12/h3-9,17,21H,10-11H2,1-2H3
InChIKeyDSJXBXNYJPKMGS-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83065761) is N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is DSJXBXNYJPKMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-18(2)10-13-5-8-15(20)9-16(13)17(18)21-11-12-3-6-14(19)7-4-12/h3-9,17,21H,10-11H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 364.71 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83065761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).