(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

C13H19NO2 — CID 79837934

IUPAC(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCOc1ccc(OC)c2c1[C@@H](N)CC2(C)C
InChIInChI=1S/C13H19NO2/c1-13(2)7-8(14)11-9(15-3)5-6-10(16-4)12(11)13/h5-6,8H,7,14H2,1-4H3/t8-/m0/s1
InChIKeyBZNWNYFHKLQCCR-QMMMGPOBSA-N
MW221.30 g/mol
LogP2.38
Rot. Bonds2

About (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (PubChem CID 79837934) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
PubChem CID79837934
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCOc1ccc(OC)c2c1[C@@H](N)CC2(C)C
InChIInChI=1S/C13H19NO2/c1-13(2)7-8(14)11-9(15-3)5-6-10(16-4)12(11)13/h5-6,8H,7,14H2,1-4H3/t8-/m0/s1
InChIKeyBZNWNYFHKLQCCR-QMMMGPOBSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine with MolForge

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Related Compounds

4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 79838026
(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 104546591
1-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837496
1,7-dibromo-4-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837869
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 116811362
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
(1S)-4,6-difluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 79837290
3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
CID 116811436
(4S)-4-amino-5-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 130706327
(1S,4S,11R,14R,21S,24R)-6,9,16,19,26,29-hexamethoxydecacyclo[22.6.1.14,11.114,21.02,23.03,12.05,10.013,22.015,20.025,30]tritriaconta-2,5,7,9,12,15,17,19,22,25,27,29-dodecaene
CID 10531635
6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838334

Frequently Asked Questions

What is the IUPAC name of (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (CID 79837934) is (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is COc1ccc(OC)c2c1[C@@H](N)CC2(C)C.
What is the InChIKey of (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The InChIKey is BZNWNYFHKLQCCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)7-8(14)11-9(15-3)5-6-10(16-4)12(11)13/h5-6,8H,7,14H2,1-4H3/t8-/m0/s1.
What are the key properties of (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79837934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).