2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine

C19H22BrN — CID 43491775

IUPAC2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22BrN/c1-2-21-19(12-14-6-10-18(20)11-7-14)17-9-8-15-4-3-5-16(15)13-17/h6-11,13,19,21H,2-5,12H2,1H3
InChIKeyLKGSKMXALFIXRO-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.83
Rot. Bonds5

About 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine

2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine (PubChem CID 43491775) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
PubChem CID43491775
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22BrN/c1-2-21-19(12-14-6-10-18(20)11-7-14)17-9-8-15-4-3-5-16(15)13-17/h6-11,13,19,21H,2-5,12H2,1H3
InChIKeyLKGSKMXALFIXRO-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865010
2-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105152391
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310656
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039781
N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 104851214
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 105036828

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine (CID 43491775) is 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
The InChIKey is LKGSKMXALFIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-2-21-19(12-14-6-10-18(20)11-7-14)17-9-8-15-4-3-5-16(15)13-17/h6-11,13,19,21H,2-5,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine has a molecular weight of 344.30 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine is sourced from PubChem (CID 43491775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).