5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride

C14H22ClNO — CID 70557198

IUPAC5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)C(C)(C)C(N(C)C)C2.Cl
InChIInChI=1S/C14H21NO.ClH/c1-14(2)12-9-11(16-5)7-6-10(12)8-13(14)15(3)4;/h6-7,9,13H,8H2,1-5H3;1H
InChIKeyJDZJAIAJFXSHEH-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.88
Rot. Bonds2

About 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride

5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride (PubChem CID 70557198) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
PubChem CID70557198
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)C(C)(C)C(N(C)C)C2.Cl
InChIInChI=1S/C14H21NO.ClH/c1-14(2)12-9-11(16-5)7-6-10(12)8-13(14)15(3)4;/h6-7,9,13H,8H2,1-5H3;1H
InChIKeyJDZJAIAJFXSHEH-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
CID 11172367
(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride
CID 90679409
(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
CID 167018874
N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
CID 70556870
7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 21436183
(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 22792255
4-bromo-8-methoxy-9b-methyl-1,2,4,5-tetrahydrobenzo[e]indole
CID 23330793
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 54095520
(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
CID 155632379
2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
CID 14343895
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride?
The IUPAC name of 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride (CID 70557198) is 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride?
The canonical SMILES for 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride is COc1ccc2c(c1)C(C)(C)C(N(C)C)C2.Cl.
What is the InChIKey of 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride?
The InChIKey is JDZJAIAJFXSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-14(2)12-9-11(16-5)7-6-10(12)8-13(14)15(3)4;/h6-7,9,13H,8H2,1-5H3;1H.
What are the key properties of 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride?
5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride is sourced from PubChem (CID 70557198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).