[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine

C17H27N3O — CID 117467828

IUPAC[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(C2CC(CN)CN2C)ccc2c1CCCN2C
InChIInChI=1S/C17H27N3O/c1-19-8-4-5-13-15(19)7-6-14(17(13)21-3)16-9-12(10-18)11-20(16)2/h6-7,12,16H,4-5,8-11,18H2,1-3H3
InChIKeyKGEXMSVXEUHNJS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.03
Rot. Bonds3

About [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117467828) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117467828
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(C2CC(CN)CN2C)ccc2c1CCCN2C
InChIInChI=1S/C17H27N3O/c1-19-8-4-5-13-15(19)7-6-14(17(13)21-3)16-9-12(10-18)11-20(16)2/h6-7,12,16H,4-5,8-11,18H2,1-3H3
InChIKeyKGEXMSVXEUHNJS-UHFFFAOYSA-N
XLogP2.03
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438845
[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420365
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117405533
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117446721
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079

Frequently Asked Questions

What is the IUPAC name of [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117467828) is [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1c(C2CC(CN)CN2C)ccc2c1CCCN2C.
What is the InChIKey of [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is KGEXMSVXEUHNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-8-4-5-13-15(19)7-6-14(17(13)21-3)16-9-12(10-18)11-20(16)2/h6-7,12,16H,4-5,8-11,18H2,1-3H3.
What are the key properties of [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).