2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline

C18H20BrN — CID 43100834

IUPAC2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc3c(c2)CCC3)c(Br)c1
InChIInChI=1S/C18H20BrN/c1-12-6-9-18(17(19)10-12)20-13(2)15-8-7-14-4-3-5-16(14)11-15/h6-11,13,20H,3-5H2,1-2H3
InChIKeyCNYQGMFMUODKHK-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.42
Rot. Bonds3

About 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline

2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline (PubChem CID 43100834) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
PubChem CID43100834
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc3c(c2)CCC3)c(Br)c1
InChIInChI=1S/C18H20BrN/c1-12-6-9-18(17(19)10-12)20-13(2)15-8-7-14-4-3-5-16(14)11-15/h6-11,13,20H,3-5H2,1-2H3
InChIKeyCNYQGMFMUODKHK-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
CID 106953585
5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
CID 43099892
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylpyridin-3-amine
CID 63329546
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
2-bromo-4-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 43094181
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline (CID 43100834) is 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2ccc3c(c2)CCC3)c(Br)c1.
What is the InChIKey of 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline?
The InChIKey is CNYQGMFMUODKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-6-9-18(17(19)10-12)20-13(2)15-8-7-14-4-3-5-16(14)11-15/h6-11,13,20H,3-5H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline?
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline has a molecular weight of 330.27 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 43100834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).