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

C19H22ClN — CID 63508658

IUPAC2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22ClN/c1-2-21-19(12-14-5-3-8-18(20)11-14)17-10-9-15-6-4-7-16(15)13-17/h3,5,8-11,13,19,21H,2,4,6-7,12H2,1H3
InChIKeyGQTXYGFIBHPAGO-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.72
Rot. Bonds5

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

2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine (PubChem CID 63508658) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
PubChem CID63508658
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22ClN/c1-2-21-19(12-14-5-3-8-18(20)11-14)17-10-9-15-6-4-7-16(15)13-17/h3,5,8-11,13,19,21H,2,4,6-7,12H2,1H3
InChIKeyGQTXYGFIBHPAGO-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503819
1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
CID 133188939
[1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285057
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63020068
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine (CID 63508658) is 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
The InChIKey is GQTXYGFIBHPAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-2-21-19(12-14-5-3-8-18(20)11-14)17-10-9-15-6-4-7-16(15)13-17/h3,5,8-11,13,19,21H,2,4,6-7,12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine?
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine has a molecular weight of 299.85 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine is sourced from PubChem (CID 63508658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).