N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline

C17H19F2NO — CID 43682271

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-10-21-17-7-5-4-6-16(17)20-12(2)13-8-9-14(18)15(19)11-13/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyFTHTZKOQOFUJLF-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.93
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline

N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline (PubChem CID 43682271) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
PubChem CID43682271
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-10-21-17-7-5-4-6-16(17)20-12(2)13-8-9-14(18)15(19)11-13/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyFTHTZKOQOFUJLF-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-(3-bromo-4-fluorophenyl)ethyl]-2-propoxyaniline
CID 43780690
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739215
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
CID 43687355
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline (CID 43682271) is N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline is CCCOc1ccccc1NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline?
The InChIKey is FTHTZKOQOFUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-10-21-17-7-5-4-6-16(17)20-12(2)13-8-9-14(18)15(19)11-13/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline?
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline 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 N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline is sourced from PubChem (CID 43682271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).