1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol

C18H27NO2 — CID 104583359

IUPAC1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCC1(C)CCOCC1
InChIInChI=1S/C18H27NO2/c1-12-4-5-15(20)17-14(10-13(2)16(12)17)19-11-18(3)6-8-21-9-7-18/h4-5,13-14,19-20H,6-11H2,1-3H3
InChIKeySVDWGXRCXNDJIF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds3

About 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 104583359) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID104583359
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCC1(C)CCOCC1
InChIInChI=1S/C18H27NO2/c1-12-4-5-15(20)17-14(10-13(2)16(12)17)19-11-18(3)6-8-21-9-7-18/h4-5,13-14,19-20H,6-11H2,1-3H3
InChIKeySVDWGXRCXNDJIF-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 104583359) is 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCC1(C)CCOCC1.
What is the InChIKey of 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is SVDWGXRCXNDJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-4-5-15(20)17-14(10-13(2)16(12)17)19-11-18(3)6-8-21-9-7-18/h4-5,13-14,19-20H,6-11H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 289.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 104583359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).