3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine

C19H25NO — CID 101007900

IUPAC3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine
SMILESCCOC1=CC(c2ccccc2)=C2CCCCC12N(C)C
InChIInChI=1S/C19H25NO/c1-4-21-18-14-16(15-10-6-5-7-11-15)17-12-8-9-13-19(17,18)20(2)3/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3
InChIKeySFRHFOGMPIGLFZ-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.25
Rot. Bonds4

About 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine

3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine (PubChem CID 101007900) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine.

Molecular Properties

Compound Name3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine
PubChem CID101007900
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine
SMILESCCOC1=CC(c2ccccc2)=C2CCCCC12N(C)C
InChIInChI=1S/C19H25NO/c1-4-21-18-14-16(15-10-6-5-7-11-15)17-12-8-9-13-19(17,18)20(2)3/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3
InChIKeySFRHFOGMPIGLFZ-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine?
The IUPAC name of 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine (CID 101007900) is 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine.
What is the SMILES notation for 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine?
The canonical SMILES for 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine is CCOC1=CC(c2ccccc2)=C2CCCCC12N(C)C.
What is the InChIKey of 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine?
The InChIKey is SFRHFOGMPIGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-21-18-14-16(15-10-6-5-7-11-15)17-12-8-9-13-19(17,18)20(2)3/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine?
3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine has a molecular weight of 283.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-dimethyl-1-phenyl-4,5,6,7-tetrahydroinden-3a-amine is sourced from PubChem (CID 101007900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).