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

C17H19F2NO — CID 43739215

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-11(2)21-17-7-5-4-6-16(17)20-12(3)13-8-9-14(18)15(19)10-13/h4-12,20H,1-3H3
InChIKeyJYURWUACLBOOQY-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.93
Rot. Bonds5

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

N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline (PubChem CID 43739215) 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-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline
PubChem CID43739215
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-11(2)21-17-7-5-4-6-16(17)20-12(3)13-8-9-14(18)15(19)10-13/h4-12,20H,1-3H3
InChIKeyJYURWUACLBOOQY-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
CID 107705148
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-propoxyaniline
CID 43780690
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
2,4-dibromo-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxyaniline
CID 103411093
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline (CID 43739215) is N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccccc1NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline?
The InChIKey is JYURWUACLBOOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11(2)21-17-7-5-4-6-16(17)20-12(3)13-8-9-14(18)15(19)10-13/h4-12,20H,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline?
N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline has a molecular weight of 291.34 g/mol, XLogP of 4.93, 5 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-propan-2-yloxyaniline is sourced from PubChem (CID 43739215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).