4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

C14H20BrNO — CID 79837932

IUPAC4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2c(Br)cc(OC)cc21
InChIInChI=1S/C14H20BrNO/c1-5-16-12-8-14(2,3)13-10(12)6-9(17-4)7-11(13)15/h6-7,12,16H,5,8H2,1-4H3
InChIKeyURNNCKDAOFNMAN-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (PubChem CID 79837932) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
PubChem CID79837932
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2c(Br)cc(OC)cc21
InChIInChI=1S/C14H20BrNO/c1-5-16-12-8-14(2,3)13-10(12)6-9(17-4)7-11(13)15/h6-7,12,16H,5,8H2,1-4H3
InChIKeyURNNCKDAOFNMAN-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (CID 79837932) is 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is CCNC1CC(C)(C)c2c(Br)cc(OC)cc21.
What is the InChIKey of 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The InChIKey is URNNCKDAOFNMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-16-12-8-14(2,3)13-10(12)6-9(17-4)7-11(13)15/h6-7,12,16H,5,8H2,1-4H3.
What are the key properties of 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79837932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).