N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine

C16H17ClFNO — CID 115952940

IUPACN-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c1-2-19-10-13-6-4-8-15(17)16(13)20-11-12-5-3-7-14(18)9-12/h3-9,19H,2,10-11H2,1H3
InChIKeyXPVGWJLMTJHDJL-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.17
Rot. Bonds6

About N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine

N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 115952940) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID115952940
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c1-2-19-10-13-6-4-8-15(17)16(13)20-11-12-5-3-7-14(18)9-12/h3-9,19H,2,10-11H2,1H3
InChIKeyXPVGWJLMTJHDJL-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 43515758
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609295
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine (CID 115952940) is N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Cl)c1OCc1cccc(F)c1.
What is the InChIKey of N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is XPVGWJLMTJHDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-19-10-13-6-4-8-15(17)16(13)20-11-12-5-3-7-14(18)9-12/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115952940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).