N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine

C16H16F3NO — CID 107695461

IUPACN-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3NO/c1-2-20-9-12-8-13(17)4-6-16(12)21-10-11-3-5-14(18)15(19)7-11/h3-8,20H,2,9-10H2,1H3
InChIKeyWDGOJQQBJWJSCU-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.79
Rot. Bonds6

About N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine

N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine (PubChem CID 107695461) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
PubChem CID107695461
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3NO/c1-2-20-9-12-8-13(17)4-6-16(12)21-10-11-3-5-14(18)15(19)7-11/h3-8,20H,2,9-10H2,1H3
InChIKeyWDGOJQQBJWJSCU-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 107879464
N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695600
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
CID 107695916

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine (CID 107695461) is N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The InChIKey is WDGOJQQBJWJSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-20-9-12-8-13(17)4-6-16(12)21-10-11-3-5-14(18)15(19)7-11/h3-8,20H,2,9-10H2,1H3.
What are the key properties of N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107695461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).