(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate

C18H20N2O2 — CID 143997720

IUPAC(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
SMILESCc1ccccc1OC(=O)NCC1CCc2ccccc2N1
InChIInChI=1S/C18H20N2O2/c1-13-6-2-5-9-17(13)22-18(21)19-12-15-11-10-14-7-3-4-8-16(14)20-15/h2-9,15,20H,10-12H2,1H3,(H,19,21)
InChIKeyFHQARTFLTGPUNO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.51
Rot. Bonds3

About (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate

(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate (PubChem CID 143997720) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate.

Molecular Properties

Compound Name(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
PubChem CID143997720
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
SMILESCc1ccccc1OC(=O)NCC1CCc2ccccc2N1
InChIInChI=1S/C18H20N2O2/c1-13-6-2-5-9-17(13)22-18(21)19-12-15-11-10-14-7-3-4-8-16(14)20-15/h2-9,15,20H,10-12H2,1H3,(H,19,21)
InChIKeyFHQARTFLTGPUNO-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea
CID 95146009
tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
CID 131227813
2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline
CID 138966764
1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208985
1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea
CID 122188226
2-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propan-1-amine
CID 105473267
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
1-butyl-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)urea
CID 165476732
1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 70886973
tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate
CID 19958483
1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208984
trimethyl-[[(2-methylphenoxy)carbonylamino]methyl]azanium chloride
CID 21397606

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
The IUPAC name of (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate (CID 143997720) is (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate.
What is the SMILES notation for (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
The canonical SMILES for (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate is Cc1ccccc1OC(=O)NCC1CCc2ccccc2N1.
What is the InChIKey of (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
The InChIKey is FHQARTFLTGPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-2-5-9-17(13)22-18(21)19-12-15-11-10-14-7-3-4-8-16(14)20-15/h2-9,15,20H,10-12H2,1H3,(H,19,21).
What are the key properties of (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate?
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate has a molecular weight of 296.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate is sourced from PubChem (CID 143997720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).