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

C14H21NO — CID 79838612

IUPACN-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2ccc(OC)cc21
InChIInChI=1S/C14H21NO/c1-5-15-13-9-14(2,3)12-7-6-10(16-4)8-11(12)13/h6-8,13,15H,5,9H2,1-4H3
InChIKeyKWNBDGFYIRYNRP-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.03
Rot. Bonds3

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

N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (PubChem CID 79838612) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
PubChem CID79838612
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2ccc(OC)cc21
InChIInChI=1S/C14H21NO/c1-5-15-13-9-14(2,3)12-7-6-10(16-4)8-11(12)13/h6-8,13,15H,5,9H2,1-4H3
InChIKeyKWNBDGFYIRYNRP-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837369
6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837179
4-bromo-N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837932
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine
CID 79837847
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
CID 114710996
N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114711027
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
CID 84632926
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
N-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 102972118

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (CID 79838612) is N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is CCNC1CC(C)(C)c2ccc(OC)cc21.
What is the InChIKey of N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The InChIKey is KWNBDGFYIRYNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15-13-9-14(2,3)12-7-6-10(16-4)8-11(12)13/h6-8,13,15H,5,9H2,1-4H3.
What are the key properties of N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79838612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).