N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C19H23ClN2O — CID 119267102

IUPACN-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)C1Cc2ccccc2CN1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-7-3-4-10-17(14)13-21(2)19(22)18-11-15-8-5-6-9-16(15)12-20-18;/h3-10,18,20H,11-13H2,1-2H3;1H
InChIKeyLTXHDTHEPZCVIE-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.09
Rot. Bonds3

About N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119267102) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119267102
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)C1Cc2ccccc2CN1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-7-3-4-10-17(14)13-21(2)19(22)18-11-15-8-5-6-9-16(15)12-20-18;/h3-10,18,20H,11-13H2,1-2H3;1H
InChIKeyLTXHDTHEPZCVIE-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139
(3S)-N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896435
(3R)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154242
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163193
(3R)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64517291
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide
CID 115178034

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119267102) is N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cc1ccccc1CN(C)C(=O)C1Cc2ccccc2CN1.Cl.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is LTXHDTHEPZCVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-14-7-3-4-10-17(14)13-21(2)19(22)18-11-15-8-5-6-9-16(15)12-20-18;/h3-10,18,20H,11-13H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119267102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).