N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine

C17H19F2NO — CID 63988191

IUPACN-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-3-20-17(14-9-6-10-15(18)16(14)19)12-7-5-8-13(11-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyNIPWOUXCVLLLGZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.06
Rot. Bonds6

About N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine

N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 63988191) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID63988191
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-3-20-17(14-9-6-10-15(18)16(14)19)12-7-5-8-13(11-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyNIPWOUXCVLLLGZ-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861982
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine (CID 63988191) is N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is NIPWOUXCVLLLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-20-17(14-9-6-10-15(18)16(14)19)12-7-5-8-13(11-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine?
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63988191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).