2-[1-(3,4-difluorophenyl)ethoxy]ethanamine

C10H13F2NO — CID 82282338

IUPAC2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
SMILESCC(OCCN)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-7(14-5-4-13)8-2-3-9(11)10(12)6-8/h2-3,6-7H,4-5,13H2,1H3
InChIKeyJCUUTYROFSVYEB-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.00
Rot. Bonds4

About 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine

2-[1-(3,4-difluorophenyl)ethoxy]ethanamine (PubChem CID 82282338) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
PubChem CID82282338
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
SMILESCC(OCCN)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-7(14-5-4-13)8-2-3-9(11)10(12)6-8/h2-3,6-7H,4-5,13H2,1H3
InChIKeyJCUUTYROFSVYEB-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
CID 112512699
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913506
1-(3,4-difluorophenyl)butane-1,3-diamine
CID 116933240
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 79345147
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine (CID 82282338) is 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine is CC(OCCN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine?
The InChIKey is JCUUTYROFSVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7(14-5-4-13)8-2-3-9(11)10(12)6-8/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine?
2-[1-(3,4-difluorophenyl)ethoxy]ethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)ethoxy]ethanamine is sourced from PubChem (CID 82282338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).