N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine

C16H17F2NO — CID 43489212

IUPACN-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-3-19-16(11-4-6-15(20-2)7-5-11)12-8-13(17)10-14(18)9-12/h4-10,16,19H,3H2,1-2H3
InChIKeyARRGHQILRJISOL-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.67
Rot. Bonds5

About N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 43489212) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID43489212
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-3-19-16(11-4-6-15(20-2)7-5-11)12-8-13(17)10-14(18)9-12/h4-10,16,19H,3H2,1-2H3
InChIKeyARRGHQILRJISOL-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
CID 106849072
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]ethanamine
CID 43489246

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine (CID 43489212) is N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ARRGHQILRJISOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-19-16(11-4-6-15(20-2)7-5-11)12-8-13(17)10-14(18)9-12/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).