7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline

C17H19N — CID 168897972

IUPAC7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C17H19N/c1-2-14-8-9-15-10-11-18(13-16(15)12-14)17-6-4-3-5-7-17/h3-9,12H,2,10-11,13H2,1H3
InChIKeyVRAJNVGUGWGXKM-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.81
Rot. Bonds2

About 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline

7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 168897972) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID168897972
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C17H19N/c1-2-14-8-9-15-10-11-18(13-16(15)12-14)17-6-4-3-5-7-17/h3-9,12H,2,10-11,13H2,1H3
InChIKeyVRAJNVGUGWGXKM-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 168898086
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
3-amino-4-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)cyclobut-3-ene-1,2-dione;ethane
CID 143273134
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
2-butan-2-yl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523681
3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
CID 176702451
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 168897972) is 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline is CCc1ccc2c(c1)CN(c1ccccc1)CC2.
What is the InChIKey of 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VRAJNVGUGWGXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-14-8-9-15-10-11-18(13-16(15)12-14)17-6-4-3-5-7-17/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 168897972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).