tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate

C15H21ClN2O2 — CID 19958483

IUPACtert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)17-9-12-6-4-10-8-11(16)5-7-13(10)18-12/h5,7-8,12,18H,4,6,9H2,1-3H3,(H,17,19)
InChIKeyCIYGDFWKUKJJSY-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate

tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate (PubChem CID 19958483) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate
PubChem CID19958483
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Nametert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)17-9-12-6-4-10-8-11(16)5-7-13(10)18-12/h5,7-8,12,18H,4,6,9H2,1-3H3,(H,17,19)
InChIKeyCIYGDFWKUKJJSY-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
CID 131227813
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83868576
tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
CID 157342432
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
CID 143997720
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 142661958
[4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 59463172
tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 58242220
tert-butyl N-[[(3R)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 171625154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate (CID 19958483) is tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCc2cc(Cl)ccc2N1.
What is the InChIKey of tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate?
The InChIKey is CIYGDFWKUKJJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)17-9-12-6-4-10-8-11(16)5-7-13(10)18-12/h5,7-8,12,18H,4,6,9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate?
tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate has a molecular weight of 296.80 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate is sourced from PubChem (CID 19958483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).