2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine

C19H24N2O — CID 82581602

IUPAC2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCOc1ccc(CCCN2CCc3cc(N)ccc3C2)cc1
InChIInChI=1S/C19H24N2O/c1-22-19-8-4-15(5-9-19)3-2-11-21-12-10-16-13-18(20)7-6-17(16)14-21/h4-9,13H,2-3,10-12,14,20H2,1H3
InChIKeyNYTNIVUOCPEGNH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.27
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine

2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine (PubChem CID 82581602) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine
PubChem CID82581602
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCOc1ccc(CCCN2CCc3cc(N)ccc3C2)cc1
InChIInChI=1S/C19H24N2O/c1-22-19-8-4-15(5-9-19)3-2-11-21-12-10-16-13-18(20)7-6-17(16)14-21/h4-9,13H,2-3,10-12,14,20H2,1H3
InChIKeyNYTNIVUOCPEGNH-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-amine
CID 58289803
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
CID 110456774
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721177
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline;hydrochloride
CID 21161757
2-[2-(methylaminosulfanyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 166120393
tert-butyl N-[4-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 82581606

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine?
The IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine (CID 82581602) is 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine?
The canonical SMILES for 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine is COc1ccc(CCCN2CCc3cc(N)ccc3C2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine?
The InChIKey is NYTNIVUOCPEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-19-8-4-15(5-9-19)3-2-11-21-12-10-16-13-18(20)7-6-17(16)14-21/h4-9,13H,2-3,10-12,14,20H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine?
2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine has a molecular weight of 296.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 82581602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).