4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline

C18H20BrN — CID 81292228

IUPAC4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20BrN/c1-2-14-11-17(19)8-9-18(14)20-12-13-6-7-15-4-3-5-16(15)10-13/h6-11,20H,2-5,12H2,1H3
InChIKeyPOVWNOMLYZRPLM-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.11
Rot. Bonds4

About 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline

4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline (PubChem CID 81292228) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline
PubChem CID81292228
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20BrN/c1-2-14-11-17(19)8-9-18(14)20-12-13-6-7-15-4-3-5-16(15)10-13/h6-11,20H,2-5,12H2,1H3
InChIKeyPOVWNOMLYZRPLM-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 81292705
4-[(4-bromo-2-ethylanilino)methyl]-N-methylbenzamide
CID 81287721
2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 81280104
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-difluoroaniline
CID 107610897
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299
2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63427544
4-bromo-2-ethyl-N-prop-2-ynylaniline
CID 80979330
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
4-bromo-N-butyl-2-ethylaniline
CID 81291753
2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol
CID 81287311
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
CID 107634326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline (CID 81292228) is 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline is CCc1cc(Br)ccc1NCc1ccc2c(c1)CCC2.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline?
The InChIKey is POVWNOMLYZRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-2-14-11-17(19)8-9-18(14)20-12-13-6-7-15-4-3-5-16(15)10-13/h6-11,20H,2-5,12H2,1H3.
What are the key properties of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline?
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline has a molecular weight of 330.27 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline is sourced from PubChem (CID 81292228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).