N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine

C14H22N2O — CID 82582986

IUPACN,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCN(CC)c1ccc(OC)c2c1CCNC2
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)13-6-7-14(17-3)12-10-15-9-8-11(12)13/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyVKIARLITVXGCAX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds4

About N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine

N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 82582986) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID82582986
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCN(CC)c1ccc(OC)c2c1CCNC2
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)13-6-7-14(17-3)12-10-15-9-8-11(12)13/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyVKIARLITVXGCAX-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583004
5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 82583404
5-methoxy-8-(1-methylpyridin-1-ium-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 69448462
4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 84716986
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142429
N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582832
N-ethyl-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214501
N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 105498037

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 82582986) is N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine is CCN(CC)c1ccc(OC)c2c1CCNC2.
What is the InChIKey of N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is VKIARLITVXGCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(5-2)13-6-7-14(17-3)12-10-15-9-8-11(12)13/h6-7,15H,4-5,8-10H2,1-3H3.
What are the key properties of N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine?
N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 234.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 82582986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).