2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline

C18H21N — CID 168898086

IUPAC2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)c1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C18H21N/c1-14(2)16-9-8-15-10-11-19(13-17(15)12-16)18-6-4-3-5-7-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyXIENEKPDEQPFSP-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.37
Rot. Bonds2

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

2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 168898086) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID168898086
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)c1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C18H21N/c1-14(2)16-9-8-15-10-11-19(13-17(15)12-16)18-6-4-3-5-7-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyXIENEKPDEQPFSP-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82582032
1-(3-propan-2-ylphenyl)pyrrolidin-3-one
CID 43314859
7-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 171523202
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456931
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
(6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)methanamine
CID 156818619
1-(4-propan-2-ylphenyl)pyrrolidin-3-one
CID 43314770

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 168898086) is 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline is CC(C)c1ccc2c(c1)CN(c1ccccc1)CC2.
What is the InChIKey of 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XIENEKPDEQPFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14(2)16-9-8-15-10-11-19(13-17(15)12-16)18-6-4-3-5-7-18/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 168898086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).