(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride

C10H14ClN — CID 169081091

IUPAC(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc2c(c1)CC2.Cl
InChIInChI=1S/C10H13N.ClH/c1-7(11)9-4-2-8-3-5-10(8)6-9;/h2,4,6-7H,3,5,11H2,1H3;1H/t7-;/m0./s1
InChIKeyUKMQOXRWEREDFG-FJXQXJEOSA-N
MW183.68 g/mol
LogP2.23
Rot. Bonds1

About (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride

(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride (PubChem CID 169081091) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
PubChem CID169081091
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc2c(c1)CC2.Cl
InChIInChI=1S/C10H13N.ClH/c1-7(11)9-4-2-8-3-5-10(8)6-9;/h2,4,6-7H,3,5,11H2,1H3;1H/t7-;/m0./s1
InChIKeyUKMQOXRWEREDFG-FJXQXJEOSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
CID 82599521
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamine
CID 82175784
3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
CID 174827553
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 83827545
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine
CID 83832101
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride (CID 169081091) is (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride is C[C@H](N)c1ccc2c(c1)CC2.Cl.
What is the InChIKey of (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride?
The InChIKey is UKMQOXRWEREDFG-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-7(11)9-4-2-8-3-5-10(8)6-9;/h2,4,6-7H,3,5,11H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride?
(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride is sourced from PubChem (CID 169081091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).