6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C16H24ClNO — CID 83067478

IUPAC6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCOCCC(C)NC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C16H24ClNO/c1-11(7-8-19-4)18-15-14-9-13(17)6-5-12(14)10-16(15,2)3/h5-6,9,11,15,18H,7-8,10H2,1-4H3
InChIKeyWGESVIDBWUZRIZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.98
Rot. Bonds5

About 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83067478) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83067478
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCOCCC(C)NC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C16H24ClNO/c1-11(7-8-19-4)18-15-14-9-13(17)6-5-12(14)10-16(15,2)3/h5-6,9,11,15,18H,7-8,10H2,1-4H3
InChIKeyWGESVIDBWUZRIZ-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83067478) is 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is COCCC(C)NC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is WGESVIDBWUZRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(7-8-19-4)18-15-14-9-13(17)6-5-12(14)10-16(15,2)3/h5-6,9,11,15,18H,7-8,10H2,1-4H3.
What are the key properties of 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83067478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).