5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine

C15H22ClNO — CID 81343273

IUPAC5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCC(NC1Cc2ccc(Cl)cc2C1)C(C)C
InChIInChI=1S/C15H22ClNO/c1-10(2)15(9-18-3)17-14-7-11-4-5-13(16)6-12(11)8-14/h4-6,10,14-15,17H,7-9H2,1-3H3
InChIKeyNCBIYPCDHJIGPT-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81343273) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81343273
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCC(NC1Cc2ccc(Cl)cc2C1)C(C)C
InChIInChI=1S/C15H22ClNO/c1-10(2)15(9-18-3)17-14-7-11-4-5-13(16)6-12(11)8-14/h4-6,10,14-15,17H,7-9H2,1-3H3
InChIKeyNCBIYPCDHJIGPT-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine (CID 81343273) is 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine is COCC(NC1Cc2ccc(Cl)cc2C1)C(C)C.
What is the InChIKey of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NCBIYPCDHJIGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)15(9-18-3)17-14-7-11-4-5-13(16)6-12(11)8-14/h4-6,10,14-15,17H,7-9H2,1-3H3.
What are the key properties of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81343273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).