1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine

C16H17ClFNO — CID 114345835

IUPAC1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1ccc(F)cc1C
InChIInChI=1S/C16H17ClFNO/c1-11-8-14(18)7-6-13(11)10-20-16-12(9-19-2)4-3-5-15(16)17/h3-8,19H,9-10H2,1-2H3
InChIKeyICCCPELZVHKYLL-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 114345835) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID114345835
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1ccc(F)cc1C
InChIInChI=1S/C16H17ClFNO/c1-11-8-14(18)7-6-13(11)10-20-16-12(9-19-2)4-3-5-15(16)17/h3-8,19H,9-10H2,1-2H3
InChIKeyICCCPELZVHKYLL-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115961108
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952543
1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318794
5-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107879775
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine (CID 114345835) is 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(Cl)c1OCc1ccc(F)cc1C.
What is the InChIKey of 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is ICCCPELZVHKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11-8-14(18)7-6-13(11)10-20-16-12(9-19-2)4-3-5-15(16)17/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114345835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).