5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine

C17H17Cl2NO — CID 115348945

IUPAC5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOc1ccc(NC2Cc3ccc(Cl)cc3C2)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-2-21-17-6-5-14(10-16(17)19)20-15-8-11-3-4-13(18)7-12(11)9-15/h3-7,10,15,20H,2,8-9H2,1H3
InChIKeyBRHSLELCGCDEDI-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.97
Rot. Bonds4

About 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348945) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115348945
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOc1ccc(NC2Cc3ccc(Cl)cc3C2)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-2-21-17-6-5-14(10-16(17)19)20-15-8-11-3-4-13(18)7-12(11)9-15/h3-7,10,15,20H,2,8-9H2,1H3
InChIKeyBRHSLELCGCDEDI-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348600
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
3-chloro-4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104860046
N-(3-chloro-4-ethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083347
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
CID 115348892
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-2-amine
CID 115348786
N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
N-(3-chloro-4-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853996
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
CID 79860269
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 115348768
5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine (CID 115348945) is 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine is CCOc1ccc(NC2Cc3ccc(Cl)cc3C2)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is BRHSLELCGCDEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-2-21-17-6-5-14(10-16(17)19)20-15-8-11-3-4-13(18)7-12(11)9-15/h3-7,10,15,20H,2,8-9H2,1H3.
What are the key properties of 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 322.24 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).