[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

C18H22N2O — CID 62342737

IUPAC[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESCOc1cccc(CN2Cc3ccccc3CC2CN)c1
InChIInChI=1S/C18H22N2O/c1-21-18-8-4-5-14(9-18)12-20-13-16-7-3-2-6-15(16)10-17(20)11-19/h2-9,17H,10-13,19H2,1H3
InChIKeyIQCRPXKIFPHSKG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.58
Rot. Bonds4

About [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (PubChem CID 62342737) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
PubChem CID62342737
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESCOc1cccc(CN2Cc3ccccc3CC2CN)c1
InChIInChI=1S/C18H22N2O/c1-21-18-8-4-5-14(9-18)12-20-13-16-7-3-2-6-15(16)10-17(20)11-19/h2-9,17H,10-13,19H2,1H3
InChIKeyIQCRPXKIFPHSKG-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol
CID 101010637
[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62343141
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75438446
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
1-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100409
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The IUPAC name of [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (CID 62342737) is [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.
What is the SMILES notation for [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The canonical SMILES for [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is COc1cccc(CN2Cc3ccccc3CC2CN)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The InChIKey is IQCRPXKIFPHSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-8-4-5-14(9-18)12-20-13-16-7-3-2-6-15(16)10-17(20)11-19/h2-9,17H,10-13,19H2,1H3.
What are the key properties of [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is sourced from PubChem (CID 62342737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).