N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C16H18N2O — CID 82582780

IUPACN-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1cccc(Nc2cccc3c2CCNC3)c1
InChIInChI=1S/C16H18N2O/c1-19-14-6-3-5-13(10-14)18-16-7-2-4-12-11-17-9-8-15(12)16/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyIUIKMPNJVHEFAQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.08
Rot. Bonds3

About N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 82582780) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID82582780
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCOc1cccc(Nc2cccc3c2CCNC3)c1
InChIInChI=1S/C16H18N2O/c1-19-14-6-3-5-13(10-14)18-16-7-2-4-12-11-17-9-8-15(12)16/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyIUIKMPNJVHEFAQ-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

N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583078
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)benzamide
CID 80554550
4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile
CID 80554473
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
N-(3-methoxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101821
4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 117102125
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80554683
N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80554705
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 51488466

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 82582780) is N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is COc1cccc(Nc2cccc3c2CCNC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is IUIKMPNJVHEFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-14-6-3-5-13(10-14)18-16-7-2-4-12-11-17-9-8-15(12)16/h2-7,10,17-18H,8-9,11H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(3-methoxyphenyl)-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 N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 82582780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).