2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

C19H22N2O — CID 82257747

IUPAC2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESCc1ccc(CNCC(=O)c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C19H22N2O/c1-14-4-6-15(7-5-14)12-20-13-19(22)17-8-9-18-16(11-17)3-2-10-21-18/h4-9,11,20-21H,2-3,10,12-13H2,1H3
InChIKeyXHSVBBNIDNKGJM-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.33
Rot. Bonds5

About 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (PubChem CID 82257747) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
PubChem CID82257747
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESCc1ccc(CNCC(=O)c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C19H22N2O/c1-14-4-6-15(7-5-14)12-20-13-19(22)17-8-9-18-16(11-17)3-2-10-21-18/h4-9,11,20-21H,2-3,10,12-13H2,1H3
InChIKeyXHSVBBNIDNKGJM-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257753
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
2-(2-morpholin-4-ylethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257745
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
1-(2,3-dihydro-1H-indol-5-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82102355
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (CID 82257747) is 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is Cc1ccc(CNCC(=O)c2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The InChIKey is XHSVBBNIDNKGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-4-6-15(7-5-14)12-20-13-19(22)17-8-9-18-16(11-17)3-2-10-21-18/h4-9,11,20-21H,2-3,10,12-13H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is sourced from PubChem (CID 82257747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).