N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline

C13H19F2NO — CID 78903119

IUPACN-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline
SMILESCCN(CCOC(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-4-16(7-8-17-10(2)3)11-5-6-12(14)13(15)9-11/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOTPFFMAATNSRRP-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline

N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 78903119) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline
PubChem CID78903119
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline
SMILESCCN(CCOC(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-4-16(7-8-17-10(2)3)11-5-6-12(14)13(15)9-11/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOTPFFMAATNSRRP-UHFFFAOYSA-N
XLogP3.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide
CID 71331392
N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
CID 131710840
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
CID 54958363
N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043
tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate
CID 56525385
3-(3,4-difluoro-N-propylanilino)-2-methylpropanoic acid
CID 82317923
1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine
CID 39237480
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
(1S,2R)-2-[[4-(diethylamino)phenyl]methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 124683676
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline
CID 126575366

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline (CID 78903119) is N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline is CCN(CCOC(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is OTPFFMAATNSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-16(7-8-17-10(2)3)11-5-6-12(14)13(15)9-11/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline?
N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 243.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 78903119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).