1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H15ClFNO — CID 114318666

IUPAC1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1cccc(F)c1
InChIInChI=1S/C15H15ClFNO/c1-18-9-13-14(16)6-3-7-15(13)19-10-11-4-2-5-12(17)8-11/h2-8,18H,9-10H2,1H3
InChIKeyZGMUFSWIYWPFFW-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.78
Rot. Bonds5

About 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 114318666) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID114318666
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1cccc(F)c1
InChIInChI=1S/C15H15ClFNO/c1-18-9-13-14(16)6-3-7-15(13)19-10-11-4-2-5-12(17)8-11/h2-8,18H,9-10H2,1H3
InChIKeyZGMUFSWIYWPFFW-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318794
1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 113276648
N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
CID 114319001
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012
1-[2-[(E)-but-2-enoxy]-6-chlorophenyl]-N-methylmethanamine
CID 114318815

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 114318666) is 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OCc1cccc(F)c1.
What is the InChIKey of 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is ZGMUFSWIYWPFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-9-13-14(16)6-3-7-15(13)19-10-11-4-2-5-12(17)8-11/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114318666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).