ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline

C14H23N — CID 162382873

IUPACethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
SMILESCC.CCN1CCc2c(C)cccc2C1
InChIInChI=1S/C12H17N.C2H6/c1-3-13-8-7-12-10(2)5-4-6-11(12)9-13;1-2/h4-6H,3,7-9H2,1-2H3;1-2H3
InChIKeyYZLKOKFJULHNOS-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.40
Rot. Bonds1

About ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline

ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 162382873) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Nameethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID162382873
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
SMILESCC.CCN1CCc2c(C)cccc2C1
InChIInChI=1S/C12H17N.C2H6/c1-3-13-8-7-12-10(2)5-4-6-11(12)9-13;1-2/h4-6H,3,7-9H2,1-2H3;1-2H3
InChIKeyYZLKOKFJULHNOS-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
ethane;5-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 143140384
2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
CID 143173694
(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
CID 82581532
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane
CID 143265481
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
2-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279835
2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335330
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
CID 84785583

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline (CID 162382873) is ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline is CC.CCN1CCc2c(C)cccc2C1.
What is the InChIKey of ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YZLKOKFJULHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-3-13-8-7-12-10(2)5-4-6-11(12)9-13;1-2/h4-6H,3,7-9H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline?
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 205.34 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 162382873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).