1-(2-ethyl-3,4-difluorophenyl)ethanamine

C10H13F2N — CID 55271184

IUPAC1-(2-ethyl-3,4-difluorophenyl)ethanamine
SMILESCCc1c(C(C)N)ccc(F)c1F
InChIInChI=1S/C10H13F2N/c1-3-7-8(6(2)13)4-5-9(11)10(7)12/h4-6H,3,13H2,1-2H3
InChIKeyJSDYNMSIVZCXBO-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.55
Rot. Bonds2

About 1-(2-ethyl-3,4-difluorophenyl)ethanamine

1-(2-ethyl-3,4-difluorophenyl)ethanamine (PubChem CID 55271184) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-3,4-difluorophenyl)ethanamine
PubChem CID55271184
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name1-(2-ethyl-3,4-difluorophenyl)ethanamine
SMILESCCc1c(C(C)N)ccc(F)c1F
InChIInChI=1S/C10H13F2N/c1-3-7-8(6(2)13)4-5-9(11)10(7)12/h4-6H,3,13H2,1-2H3
InChIKeyJSDYNMSIVZCXBO-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
CID 131029109
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098
1-(2,3,6-trifluorophenyl)propan-2-amine
CID 55253455
(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine
CID 130713588
2-ethyl-3,4-difluorophenol
CID 130218632
1-(2,3-diethylphenyl)ethanamine
CID 130066606
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946
2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
4-(2,3,4-trifluorophenyl)pentan-2-amine
CID 64721181

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,4-difluorophenyl)ethanamine?
The IUPAC name of 1-(2-ethyl-3,4-difluorophenyl)ethanamine (CID 55271184) is 1-(2-ethyl-3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-ethyl-3,4-difluorophenyl)ethanamine?
The canonical SMILES for 1-(2-ethyl-3,4-difluorophenyl)ethanamine is CCc1c(C(C)N)ccc(F)c1F.
What is the InChIKey of 1-(2-ethyl-3,4-difluorophenyl)ethanamine?
The InChIKey is JSDYNMSIVZCXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-3-7-8(6(2)13)4-5-9(11)10(7)12/h4-6H,3,13H2,1-2H3.
What are the key properties of 1-(2-ethyl-3,4-difluorophenyl)ethanamine?
1-(2-ethyl-3,4-difluorophenyl)ethanamine has a molecular weight of 185.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 55271184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).