ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine

C16H21NO — CID 143217656

IUPACethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine
SMILESC#CC1=C(NC)CCc2ccc(OC)cc21.CC
InChIInChI=1S/C14H15NO.C2H6/c1-4-12-13-9-11(16-3)7-5-10(13)6-8-14(12)15-2;1-2/h1,5,7,9,15H,6,8H2,2-3H3;1-2H3
InChIKeyJMPMXMIWRVAJHE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.23
Rot. Bonds2

About ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine

ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine (PubChem CID 143217656) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine.

Molecular Properties

Compound Nameethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine
PubChem CID143217656
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Nameethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine
SMILESC#CC1=C(NC)CCc2ccc(OC)cc21.CC
InChIInChI=1S/C14H15NO.C2H6/c1-4-12-13-9-11(16-3)7-5-10(13)6-8-14(12)15-2;1-2/h1,5,7,9,15H,6,8H2,2-3H3;1-2H3
InChIKeyJMPMXMIWRVAJHE-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 125266195
1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine
CID 176832104
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79247899
9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
CID 102237047
7-methoxy-1-[2-(4-methylphenyl)ethynyl]-3,4-dihydronaphthalene-2-carbaldehyde
CID 46186555
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
7-methoxy-3,4-dihydronaphthalene-1-carbonitrile
CID 11521201
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
CID 67555902

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine?
The IUPAC name of ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine (CID 143217656) is ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine.
What is the SMILES notation for ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine?
The canonical SMILES for ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine is C#CC1=C(NC)CCc2ccc(OC)cc21.CC.
What is the InChIKey of ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine?
The InChIKey is JMPMXMIWRVAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C2H6/c1-4-12-13-9-11(16-3)7-5-10(13)6-8-14(12)15-2;1-2/h1,5,7,9,15H,6,8H2,2-3H3;1-2H3.
What are the key properties of ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine?
ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine is sourced from PubChem (CID 143217656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).