N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline

C18H22N2 — CID 82583439

IUPACN,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline
SMILESCc1ccc(-c2ccc(N(C)C)cc2)c2c1CCNC2
InChIInChI=1S/C18H22N2/c1-13-4-9-17(18-12-19-11-10-16(13)18)14-5-7-15(8-6-14)20(2)3/h4-9,19H,10-12H2,1-3H3
InChIKeyKJUATTYBZUAWBM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.37
Rot. Bonds2

About N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline

N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline (PubChem CID 82583439) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline
PubChem CID82583439
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline
SMILESCc1ccc(-c2ccc(N(C)C)cc2)c2c1CCNC2
InChIInChI=1S/C18H22N2/c1-13-4-9-17(18-12-19-11-10-16(13)18)14-5-7-15(8-6-14)20(2)3/h4-9,19H,10-12H2,1-3H3
InChIKeyKJUATTYBZUAWBM-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline (CID 82583439) is N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline is Cc1ccc(-c2ccc(N(C)C)cc2)c2c1CCNC2.
What is the InChIKey of N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline?
The InChIKey is KJUATTYBZUAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-4-9-17(18-12-19-11-10-16(13)18)14-5-7-15(8-6-14)20(2)3/h4-9,19H,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline?
N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline has a molecular weight of 266.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline is sourced from PubChem (CID 82583439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).