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

C16H16ClF2NO — CID 115953026

IUPACN-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cccc(F)c1F
InChIInChI=1S/C16H16ClF2NO/c1-2-20-9-11-5-3-7-13(17)16(11)21-10-12-6-4-8-14(18)15(12)19/h3-8,20H,2,9-10H2,1H3
InChIKeyYKYXCYNGVJQLJR-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.31
Rot. Bonds6

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

N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 115953026) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID115953026
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC NameN-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cccc(F)c1F
InChIInChI=1S/C16H16ClF2NO/c1-2-20-9-11-5-3-7-13(17)16(11)21-10-12-6-4-8-14(18)15(12)19/h3-8,20H,2,9-10H2,1H3
InChIKeyYKYXCYNGVJQLJR-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609295
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256
N-[[3-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609309
N-[[3-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609400
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine (CID 115953026) is N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Cl)c1OCc1cccc(F)c1F.
What is the InChIKey of N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is YKYXCYNGVJQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-2-20-9-11-5-3-7-13(17)16(11)21-10-12-6-4-8-14(18)15(12)19/h3-8,20H,2,9-10H2,1H3.
What are the key properties of N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.31, 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-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115953026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).