1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol

C17H26ClNO2 — CID 106249390

IUPAC1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C17H26ClNO2/c1-16(2)10-12-5-6-13(18)9-14(12)15(16)19-11-17(3,20)7-8-21-4/h5-6,9,15,19-20H,7-8,10-11H2,1-4H3
InChIKeyXZFPLWGOBVVTCH-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.34
Rot. Bonds6

About 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106249390) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106249390
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C17H26ClNO2/c1-16(2)10-12-5-6-13(18)9-14(12)15(16)19-11-17(3,20)7-8-21-4/h5-6,9,15,19-20H,7-8,10-11H2,1-4H3
InChIKeyXZFPLWGOBVVTCH-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106249390) is 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is XZFPLWGOBVVTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-16(2)10-12-5-6-13(18)9-14(12)15(16)19-11-17(3,20)7-8-21-4/h5-6,9,15,19-20H,7-8,10-11H2,1-4H3.
What are the key properties of 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 311.85 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106249390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).