8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

C16H18N2O — CID 82583004

IUPAC8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1ccc(Nc2ccccc2)c2c1CNCC2
InChIInChI=1S/C16H18N2O/c1-19-16-8-7-15(13-9-10-17-11-14(13)16)18-12-5-3-2-4-6-12/h2-8,17-18H,9-11H2,1H3
InChIKeyKTIUWIACWZJNJS-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.08
Rot. Bonds3

About 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 82583004) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound Name8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID82583004
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1ccc(Nc2ccccc2)c2c1CNCC2
InChIInChI=1S/C16H18N2O/c1-19-16-8-7-15(13-9-10-17-11-14(13)16)18-12-5-3-2-4-6-12/h2-8,17-18H,9-11H2,1H3
InChIKeyKTIUWIACWZJNJS-UHFFFAOYSA-N
XLogP3.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582930
N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582832
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
2-methoxy-N-phenylaniline
CID 10910514
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582780
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582986
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 82582998
4-methoxy-N-phenylthiophen-3-amine
CID 148688477
5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 82583404

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 82583004) is 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine is COc1ccc(Nc2ccccc2)c2c1CNCC2.
What is the InChIKey of 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is KTIUWIACWZJNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-8-7-15(13-9-10-17-11-14(13)16)18-12-5-3-2-4-6-12/h2-8,17-18H,9-11H2,1H3.
What are the key properties of 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 254.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 82583004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).