2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline

C17H19F2NO — CID 43103926

IUPAC2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-10-21-15-7-4-13(5-8-15)12(2)20-17-11-14(18)6-9-16(17)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyOXTFXHJNKJBRIA-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.93
Rot. Bonds6

About 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline

2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline (PubChem CID 43103926) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
PubChem CID43103926
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-10-21-15-7-4-13(5-8-15)12(2)20-17-11-14(18)6-9-16(17)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyOXTFXHJNKJBRIA-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43104475
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
3-bromo-4-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 104775825
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
4-bromo-3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 65437836
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The IUPAC name of 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline (CID 43103926) is 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline is CCCOc1ccc(C(C)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
The InChIKey is OXTFXHJNKJBRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-10-21-15-7-4-13(5-8-15)12(2)20-17-11-14(18)6-9-16(17)19/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline?
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline has a molecular weight of 291.34 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43103926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).