2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline

C18H21N — CID 10377486

IUPAC2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H21N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11H,6,9,12-15H2
InChIKeyYICFJECQPLJNKZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.68
Rot. Bonds4

About 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline

2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 10377486) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
PubChem CID10377486
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H21N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11H,6,9,12-15H2
InChIKeyYICFJECQPLJNKZ-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyproheptadine
CID 2913
Phencyclidine
CID 6468
Cyclizine
CID 6726
Cyproheptadine Hydrochloride
CID 13770
Benzphetamine
CID 5311017
1,2,3,4-Tetrahydroisoquinoline
CID 7046
Setiptiline
CID 5205
Naftifine
CID 47641
Phencyclidine Hydrochloride
CID 9795678
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Azapetine
CID 8966
Naftifine Hydrochloride
CID 5281098

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline (CID 10377486) is 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline is c1ccc(CCCN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is YICFJECQPLJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11H,6,9,12-15H2.
What are the key properties of 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline?
2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10377486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).