7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

C12H18N2 — CID 138536365

IUPAC7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCc1cc2c(c(NC)c1)CCNC2
InChIInChI=1S/C12H18N2/c1-3-9-6-10-8-14-5-4-11(10)12(7-9)13-2/h6-7,13-14H,3-5,8H2,1-2H3
InChIKeyGGIWUSMQNBZJES-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.94
Rot. Bonds2

About 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 138536365) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound Name7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID138536365
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCc1cc2c(c(NC)c1)CCNC2
InChIInChI=1S/C12H18N2/c1-3-9-6-10-8-14-5-4-11(10)12(7-9)13-2/h6-7,13-14H,3-5,8H2,1-2H3
InChIKeyGGIWUSMQNBZJES-UHFFFAOYSA-N
XLogP1.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nomifensine
CID 4528
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2,3,4-Tetrahydroquinoline
CID 69460
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
1-(2,3-Xylyl)piperazine
CID 70541
1-(3,4-Xylyl)piperazine
CID 2723782
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
1-(2,5-Xylyl)piperazine
CID 70542

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 138536365) is 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is CCc1cc2c(c(NC)c1)CCNC2.
What is the InChIKey of 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is GGIWUSMQNBZJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-9-6-10-8-14-5-4-11(10)12(7-9)13-2/h6-7,13-14H,3-5,8H2,1-2H3.
What are the key properties of 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 190.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 138536365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).