2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine

C17H19F2NO — CID 64561584

IUPAC2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-2-9-21-15-7-4-12(5-8-15)17(20)10-13-3-6-14(18)11-16(13)19/h3-8,11,17H,2,9-10,20H2,1H3
InChIKeyYPEGBYNRWZZGGA-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.00
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine

2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 64561584) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine
PubChem CID64561584
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-2-9-21-15-7-4-12(5-8-15)17(20)10-13-3-6-14(18)11-16(13)19/h3-8,11,17H,2,9-10,20H2,1H3
InChIKeyYPEGBYNRWZZGGA-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(4-propylphenyl)ethanamine
CID 64559469
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 82787670
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 104657340
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine (CID 64561584) is 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is YPEGBYNRWZZGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-9-21-15-7-4-12(5-8-15)17(20)10-13-3-6-14(18)11-16(13)19/h3-8,11,17H,2,9-10,20H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine?
2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 64561584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).