N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine

C23H24N2O — CID 23176521

IUPACN-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCOc1ccccc1CNC1c2ccccc2CNC1c1ccccc1
InChIInChI=1S/C23H24N2O/c1-26-21-14-8-6-12-19(21)16-25-23-20-13-7-5-11-18(20)15-24-22(23)17-9-3-2-4-10-17/h2-14,22-25H,15-16H2,1H3
InChIKeyMCGYUQVSEHPUNL-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.37
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine

N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 23176521) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID23176521
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCOc1ccccc1CNC1c2ccccc2CNC1c1ccccc1
InChIInChI=1S/C23H24N2O/c1-26-21-14-8-6-12-19(21)16-25-23-20-13-7-5-11-18(20)15-24-22(23)17-9-3-2-4-10-17/h2-14,22-25H,15-16H2,1H3
InChIKeyMCGYUQVSEHPUNL-UHFFFAOYSA-N
XLogP4.37
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine
CID 19012926
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
CID 68882474
N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
CID 18982907
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(2-methoxyphenyl)methyl]-2-phenyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepin-3-amine
CID 57144170

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 23176521) is N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine is COc1ccccc1CNC1c2ccccc2CNC1c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is MCGYUQVSEHPUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-26-21-14-8-6-12-19(21)16-25-23-20-13-7-5-11-18(20)15-24-22(23)17-9-3-2-4-10-17/h2-14,22-25H,15-16H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 23176521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).