N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine

C16H27N3O — CID 142171757

IUPACN,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine
SMILESCNCN1CCc2cc(OCCCN(C)C)ccc2C1
InChIInChI=1S/C16H27N3O/c1-17-13-19-9-7-14-11-16(6-5-15(14)12-19)20-10-4-8-18(2)3/h5-6,11,17H,4,7-10,12-13H2,1-3H3
InChIKeyRRAAVHFJJMVDGE-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.55
Rot. Bonds7

About N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine

N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine (PubChem CID 142171757) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine
PubChem CID142171757
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine
SMILESCNCN1CCc2cc(OCCCN(C)C)ccc2C1
InChIInChI=1S/C16H27N3O/c1-17-13-19-9-7-14-11-16(6-5-15(14)12-19)20-10-4-8-18(2)3/h5-6,11,17H,4,7-10,12-13H2,1-3H3
InChIKeyRRAAVHFJJMVDGE-UHFFFAOYSA-N
XLogP1.55
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine
CID 11508621
N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
CID 75431193
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155535049
N-methyl-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 142067783
3-[17-[3-(dimethylamino)propoxy]-1,3,10,12-tetrazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4,6,8,10,15(20),16,18-octaen-12-yl]-N,N-dimethylpropan-1-amine
CID 162665822
1-[4-[[6-(cyclobutylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-N-methylmethanamine
CID 166719003
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine (CID 142171757) is N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine is CNCN1CCc2cc(OCCCN(C)C)ccc2C1.
What is the InChIKey of N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine?
The InChIKey is RRAAVHFJJMVDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-13-19-9-7-14-11-16(6-5-15(14)12-19)20-10-4-8-18(2)3/h5-6,11,17H,4,7-10,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine?
N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine is sourced from PubChem (CID 142171757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).