N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline

C16H18N2 — CID 10561936

IUPACN-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline
SMILESCNc1ccccc1[C@@H]1NCCc2ccccc21
InChIInChI=1S/C16H18N2/c1-17-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-18-16/h2-9,16-18H,10-11H2,1H3/t16-/m1/s1
InChIKeyFULJNNJHDVUBKF-MRXNPFEDSA-N
MW238.33 g/mol
LogP2.96
Rot. Bonds2

About N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline

N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline (PubChem CID 10561936) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline
PubChem CID10561936
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline
SMILESCNc1ccccc1[C@@H]1NCCc2ccccc21
InChIInChI=1S/C16H18N2/c1-17-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-18-16/h2-9,16-18H,10-11H2,1H3/t16-/m1/s1
InChIKeyFULJNNJHDVUBKF-MRXNPFEDSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline?
The IUPAC name of N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline (CID 10561936) is N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline.
What is the SMILES notation for N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline?
The canonical SMILES for N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline is CNc1ccccc1[C@@H]1NCCc2ccccc21.
What is the InChIKey of N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline?
The InChIKey is FULJNNJHDVUBKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2/c1-17-15-9-5-4-8-14(15)16-13-7-3-2-6-12(13)10-11-18-16/h2-9,16-18H,10-11H2,1H3/t16-/m1/s1.
What are the key properties of N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline?
N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline has a molecular weight of 238.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline is sourced from PubChem (CID 10561936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).