2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline

C14H21N — CID 143173694

IUPAC2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCc1cccc2c1CCN(CC)C2
InChIInChI=1S/C14H21N/c1-3-6-12-7-5-8-13-11-15(4-2)10-9-14(12)13/h5,7-8H,3-4,6,9-11H2,1-2H3
InChIKeyOFZWSFUNLYFVEA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.02
Rot. Bonds3

About 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline

2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline (PubChem CID 143173694) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
PubChem CID143173694
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCc1cccc2c1CCN(CC)C2
InChIInChI=1S/C14H21N/c1-3-6-12-7-5-8-13-11-15(4-2)10-9-14(12)13/h5,7-8H,3-4,6,9-11H2,1-2H3
InChIKeyOFZWSFUNLYFVEA-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
CID 82581532
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
CID 143173552
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
CID 84785583
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 121283305
2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 139381612
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
7-tert-butyl-2,5-diethyl-3,4-dihydro-1H-isoquinoline
CID 167248456
2-butyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559327
1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol
CID 105457923

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline (CID 143173694) is 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline is CCCc1cccc2c1CCN(CC)C2.
What is the InChIKey of 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OFZWSFUNLYFVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-6-12-7-5-8-13-11-15(4-2)10-9-14(12)13/h5,7-8H,3-4,6,9-11H2,1-2H3.
What are the key properties of 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline?
2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 143173694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).