N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine

C20H24N2O — CID 166382263

IUPACN-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine
SMILESCOc1ccc(C2CC2)c(CNc2cc3c(cn2)CCCC3)c1
InChIInChI=1S/C20H24N2O/c1-23-18-8-9-19(14-6-7-14)17(10-18)13-22-20-11-15-4-2-3-5-16(15)12-21-20/h8-12,14H,2-7,13H2,1H3,(H,21,22)
InChIKeyMPPUZKJKTUUEAH-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.46
Rot. Bonds5

About N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine

N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine (PubChem CID 166382263) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine
PubChem CID166382263
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine
SMILESCOc1ccc(C2CC2)c(CNc2cc3c(cn2)CCCC3)c1
InChIInChI=1S/C20H24N2O/c1-23-18-8-9-19(14-6-7-14)17(10-18)13-22-20-11-15-4-2-3-5-16(15)12-21-20/h8-12,14H,2-7,13H2,1H3,(H,21,22)
InChIKeyMPPUZKJKTUUEAH-UHFFFAOYSA-N
XLogP4.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine?
The IUPAC name of N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine (CID 166382263) is N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine.
What is the SMILES notation for N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine?
The canonical SMILES for N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine is COc1ccc(C2CC2)c(CNc2cc3c(cn2)CCCC3)c1.
What is the InChIKey of N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine?
The InChIKey is MPPUZKJKTUUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-18-8-9-19(14-6-7-14)17(10-18)13-22-20-11-15-4-2-3-5-16(15)12-21-20/h8-12,14H,2-7,13H2,1H3,(H,21,22).
What are the key properties of N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine?
N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine has a molecular weight of 308.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-5-methoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-3-amine is sourced from PubChem (CID 166382263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).