6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

C15H22BrNO2 — CID 105057489

IUPAC6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2c(OC)cc(Br)c(OC)c21
InChIInChI=1S/C15H22BrNO2/c1-6-17-10-8-15(2,3)13-11(18-4)7-9(16)14(19-5)12(10)13/h7,10,17H,6,8H2,1-5H3
InChIKeyRLMOMUYKCSDGEE-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.80
Rot. Bonds4

About 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (PubChem CID 105057489) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
PubChem CID105057489
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2c(OC)cc(Br)c(OC)c21
InChIInChI=1S/C15H22BrNO2/c1-6-17-10-8-15(2,3)13-11(18-4)7-9(16)14(19-5)12(10)13/h7,10,17H,6,8H2,1-5H3
InChIKeyRLMOMUYKCSDGEE-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 105057506
3-bromo-N-ethyl-1,4-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 105057499
4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837932
9-bromo-N-ethyl-6,7-dimethoxy-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62736905
6-bromo-N,3-diethyl-5,8-dimethoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356694
7-bromo-4-ethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
CID 79837930
1,7-dibromo-4-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837869
6-bromo-3-ethyl-5,8-dimethoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356733
6-bromo-3-ethyl-5,8-dimethoxy-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356652
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612
6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 105400200

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (CID 105057489) is 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is CCNC1CC(C)(C)c2c(OC)cc(Br)c(OC)c21.
What is the InChIKey of 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The InChIKey is RLMOMUYKCSDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-6-17-10-8-15(2,3)13-11(18-4)7-9(16)14(19-5)12(10)13/h7,10,17H,6,8H2,1-5H3.
What are the key properties of 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 105057489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).