(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine

C14H19NO — CID 176832118

IUPAC(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC/C2=C\CN(C)C
InChIInChI=1S/C14H19NO/c1-15(2)9-8-11-4-5-12-10-13(16-3)6-7-14(11)12/h6-8,10H,4-5,9H2,1-3H3/b11-8+
InChIKeyKJULBSJCVMMGCH-DHZHZOJOSA-N
MW217.31 g/mol
LogP2.59
Rot. Bonds3

About (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine

(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine (PubChem CID 176832118) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine.

Molecular Properties

Compound Name(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine
PubChem CID176832118
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC/C2=C\CN(C)C
InChIInChI=1S/C14H19NO/c1-15(2)9-8-11-4-5-12-10-13(16-3)6-7-14(11)12/h6-8,10H,4-5,9H2,1-3H3/b11-8+
InChIKeyKJULBSJCVMMGCH-DHZHZOJOSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene
CID 91068807
2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
CID 174994017
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 46945072
(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 134848209
2-[(2-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 165342146
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
CID 6212947
CID 11210966
CID 11210966
3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]-1H-pyridin-2-one
CID 139088081
(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6066357
2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione
CID 165340548
(2E)-2-[(2-chloro-4-methylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 58465465

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine?
The IUPAC name of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine (CID 176832118) is (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine.
What is the SMILES notation for (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine?
The canonical SMILES for (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine is COc1ccc2c(c1)CC/C2=C\CN(C)C.
What is the InChIKey of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine?
The InChIKey is KJULBSJCVMMGCH-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(2)9-8-11-4-5-12-10-13(16-3)6-7-14(11)12/h6-8,10H,4-5,9H2,1-3H3/b11-8+.
What are the key properties of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine?
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine is sourced from PubChem (CID 176832118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).