2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline

C16H15BrClN — CID 81280104

IUPAC2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H15BrClN/c17-15-7-6-14(18)9-16(15)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9,19H,1-3,10H2
InChIKeyMYUZGFKJJIYDEQ-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.20
Rot. Bonds3

About 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline

2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline (PubChem CID 81280104) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
PubChem CID81280104
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H15BrClN/c17-15-7-6-14(18)9-16(15)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9,19H,1-3,10H2
InChIKeyMYUZGFKJJIYDEQ-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.66
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-difluoroaniline
CID 107610897
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 81260770
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
CID 107634326
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
2-bromo-5-chloro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 107077673
2-bromo-5-chloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038660
2-bromo-5-chloro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 81264088
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline
CID 81292228
2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline
CID 81268819
2-bromo-5-chloro-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 81271039

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline (CID 81280104) is 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline is Clc1ccc(Br)c(NCc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
The InChIKey is MYUZGFKJJIYDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-15-7-6-14(18)9-16(15)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9,19H,1-3,10H2.
What are the key properties of 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline has a molecular weight of 336.66 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline is sourced from PubChem (CID 81280104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).