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

C16H15BrClN — CID 83235273

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(CNC2CCc3ccccc32)cc1Br
InChIInChI=1S/C16H15BrClN/c17-14-9-11(5-7-15(14)18)10-19-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16,19H,6,8,10H2
InChIKeyPGYKBWFFDYTZJN-UHFFFAOYSA-N
MW336.66 g/mol
LogP4.88
Rot. Bonds3

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

N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 83235273) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID83235273
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(CNC2CCc3ccccc32)cc1Br
InChIInChI=1S/C16H15BrClN/c17-14-9-11(5-7-15(14)18)10-19-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16,19H,6,8,10H2
InChIKeyPGYKBWFFDYTZJN-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 55454593
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43612746
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43202744
2,6-dibromo-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 103602756
N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 114452205
4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzenesulfinic acid
CID 118861554
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 115526029
2-chloro-4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-fluorophenol
CID 142098971
N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43462323

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 83235273) is N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Clc1ccc(CNC2CCc3ccccc32)cc1Br.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PGYKBWFFDYTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-14-9-11(5-7-15(14)18)10-19-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16,19H,6,8,10H2.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 336.66 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83235273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).