1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine

C16H23NO — CID 117366115

IUPAC1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
SMILESCOc1c(C2(C(C)N)CC2)ccc2c1CCCC2
InChIInChI=1S/C16H23NO/c1-11(17)16(9-10-16)14-8-7-12-5-3-4-6-13(12)15(14)18-2/h7-8,11H,3-6,9-10,17H2,1-2H3
InChIKeySZOKSTMKHYSORF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds3

About 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine

1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine (PubChem CID 117366115) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
PubChem CID117366115
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
SMILESCOc1c(C2(C(C)N)CC2)ccc2c1CCCC2
InChIInChI=1S/C16H23NO/c1-11(17)16(9-10-16)14-8-7-12-5-3-4-6-13(12)15(14)18-2/h7-8,11H,3-6,9-10,17H2,1-2H3
InChIKeySZOKSTMKHYSORF-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
CID 117405081
1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117438584
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine
CID 117313271
1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377084
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
6-(1-isocyanatocyclopropyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 117360104
6-(1-isocyanatocyclopentyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 117431375
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117477283
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117314688

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine (CID 117366115) is 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine is COc1c(C2(C(C)N)CC2)ccc2c1CCCC2.
What is the InChIKey of 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine?
The InChIKey is SZOKSTMKHYSORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(17)16(9-10-16)14-8-7-12-5-3-4-6-13(12)15(14)18-2/h7-8,11H,3-6,9-10,17H2,1-2H3.
What are the key properties of 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine?
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117366115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).