7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C16H15ClFNO — CID 178142063

IUPAC7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc(Cl)c1COc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15ClFNO/c17-15-2-1-3-16(18)14(15)10-20-13-5-4-11-6-7-19-9-12(11)8-13/h1-5,8,19H,6-7,9-10H2
InChIKeyQRBKVZPMHMEJQR-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.70
Rot. Bonds3

About 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 178142063) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID178142063
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc(Cl)c1COc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15ClFNO/c17-15-2-1-3-16(18)14(15)10-20-13-5-4-11-6-7-19-9-12(11)8-13/h1-5,8,19H,6-7,9-10H2
InChIKeyQRBKVZPMHMEJQR-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 167432009
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
5-[(2-chloro-6-fluorophenyl)methoxy]-1H-indole
CID 80642309
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
7-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 63549722
5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole
CID 178141813
2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]benzenecarbothioamide
CID 102724350
(2-chloro-6-fluorophenyl)methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 55528236
7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 178142063) is 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is Fc1cccc(Cl)c1COc1ccc2c(c1)CNCC2.
What is the InChIKey of 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QRBKVZPMHMEJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-15-2-1-3-16(18)14(15)10-20-13-5-4-11-6-7-19-9-12(11)8-13/h1-5,8,19H,6-7,9-10H2.
What are the key properties of 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 291.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 178142063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).