5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine

C17H18ClNO — CID 115348600

IUPAC5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOc1ccccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H18ClNO/c1-2-20-17-6-4-3-5-16(17)19-15-10-12-7-8-14(18)9-13(12)11-15/h3-9,15,19H,2,10-11H2,1H3
InChIKeyMKQOWSYAZNGXOL-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.32
Rot. Bonds4

About 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348600) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115348600
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOc1ccccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H18ClNO/c1-2-20-17-6-4-3-5-16(17)19-15-10-12-7-8-14(18)9-13(12)11-15/h3-9,15,19H,2,10-11H2,1H3
InChIKeyMKQOWSYAZNGXOL-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348945
N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43730188
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 115348592
5-chloro-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 102848942
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348973
N-(2-ethoxy-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43787969
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
CID 54865465
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine (CID 115348600) is 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine is CCOc1ccccc1NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MKQOWSYAZNGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-2-20-17-6-4-3-5-16(17)19-15-10-12-7-8-14(18)9-13(12)11-15/h3-9,15,19H,2,10-11H2,1H3.
What are the key properties of 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 287.79 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).