6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline

C16H16ClNO — CID 115104384

IUPAC6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
SMILESClc1ccccc1OCc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16ClNO/c17-14-5-1-2-6-16(14)19-11-12-7-8-15-13(10-12)4-3-9-18-15/h1-2,5-8,10,18H,3-4,9,11H2
InChIKeyNDOICKFQJOBUQC-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.28
Rot. Bonds3

About 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline

6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 115104384) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID115104384
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
SMILESClc1ccccc1OCc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16ClNO/c17-14-5-1-2-6-16(14)19-11-12-7-8-15-13(10-12)4-3-9-18-15/h1-2,5-8,10,18H,3-4,9,11H2
InChIKeyNDOICKFQJOBUQC-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103937
5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103966
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
CID 61149619
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 61416936
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
2-amino-4-[(2-chlorophenoxy)methyl]phenol
CID 117221784
2-bromo-5-[(2-chlorophenoxy)methyl]phenol
CID 117220261
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline (CID 115104384) is 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline is Clc1ccccc1OCc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is NDOICKFQJOBUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-5-1-2-6-16(14)19-11-12-7-8-15-13(10-12)4-3-9-18-15/h1-2,5-8,10,18H,3-4,9,11H2.
What are the key properties of 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115104384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).