5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline

C17H19N — CID 106777836

IUPAC5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CCc2cccc3c2CCCN3)cc1
InChIInChI=1S/C17H19N/c1-2-6-14(7-3-1)11-12-15-8-4-10-17-16(15)9-5-13-18-17/h1-4,6-8,10,18H,5,9,11-13H2
InChIKeyNGAGBMTYJRWYHQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.83
Rot. Bonds3

About 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline

5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106777836) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106777836
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CCc2cccc3c2CCCN3)cc1
InChIInChI=1S/C17H19N/c1-2-6-14(7-3-1)11-12-15-8-4-10-17-16(15)9-5-13-18-17/h1-4,6-8,10,18H,5,9,11-13H2
InChIKeyNGAGBMTYJRWYHQ-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol
CID 105493478
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104408
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
CID 2771763
2-(1,2,3,4-tetrahydroquinolin-5-yl)phenol
CID 69017976
5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780297
5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114593803
2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
CID 103462222
4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105473
2,3,4,5-tetrahydro-1H-1-benzazepine-6-carbonitrile
CID 84654427
5-(1-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 142484620

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline (CID 106777836) is 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline is c1ccc(CCc2cccc3c2CCCN3)cc1.
What is the InChIKey of 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is NGAGBMTYJRWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-6-14(7-3-1)11-12-15-8-4-10-17-16(15)9-5-13-18-17/h1-4,6-8,10,18H,5,9,11-13H2.
What are the key properties of 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline?
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106777836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).