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

C18H26ClNO — CID 115348711

IUPAC5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCCCOC1CCCCC1)C2
InChIInChI=1S/C18H26ClNO/c19-16-8-7-14-12-17(13-15(14)11-16)20-9-4-10-21-18-5-2-1-3-6-18/h7-8,11,17-18,20H,1-6,9-10,12-13H2
InChIKeyPOMLAGRLMKRLCJ-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.14
Rot. Bonds6

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

5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348711) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115348711
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCCCOC1CCCCC1)C2
InChIInChI=1S/C18H26ClNO/c19-16-8-7-14-12-17(13-15(14)11-16)20-9-4-10-21-18-5-2-1-3-6-18/h7-8,11,17-18,20H,1-6,9-10,12-13H2
InChIKeyPOMLAGRLMKRLCJ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine (CID 115348711) is 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCCCOC1CCCCC1)C2.
What is the InChIKey of 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is POMLAGRLMKRLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c19-16-8-7-14-12-17(13-15(14)11-16)20-9-4-10-21-18-5-2-1-3-6-18/h7-8,11,17-18,20H,1-6,9-10,12-13H2.
What are the key properties of 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 307.86 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).