N-ethyl-2-fluoro-4-propan-2-ylaniline

C11H16FN — CID 134414271

IUPACN-ethyl-2-fluoro-4-propan-2-ylaniline
SMILESCCNc1ccc(C(C)C)cc1F
InChIInChI=1S/C11H16FN/c1-4-13-11-6-5-9(8(2)3)7-10(11)12/h5-8,13H,4H2,1-3H3
InChIKeyTZICYXUYYCSQHP-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.38
Rot. Bonds3

About N-ethyl-2-fluoro-4-propan-2-ylaniline

N-ethyl-2-fluoro-4-propan-2-ylaniline (PubChem CID 134414271) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-propan-2-ylaniline
PubChem CID134414271
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-ethyl-2-fluoro-4-propan-2-ylaniline
SMILESCCNc1ccc(C(C)C)cc1F
InChIInChI=1S/C11H16FN/c1-4-13-11-6-5-9(8(2)3)7-10(11)12/h5-8,13H,4H2,1-3H3
InChIKeyTZICYXUYYCSQHP-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine
CID 123353438
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
(2-fluoro-4-propan-2-ylphenyl)hydrazine;hydrochloride
CID 138473582
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-4-propan-2-ylaniline
CID 167911169
N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
CID 144857612
2-(ethylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 102239334
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
N-ethyl-2-fluoro-4-propan-2-ylbenzamide
CID 174350418
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-propan-2-ylaniline?
The IUPAC name of N-ethyl-2-fluoro-4-propan-2-ylaniline (CID 134414271) is N-ethyl-2-fluoro-4-propan-2-ylaniline.
What is the SMILES notation for N-ethyl-2-fluoro-4-propan-2-ylaniline?
The canonical SMILES for N-ethyl-2-fluoro-4-propan-2-ylaniline is CCNc1ccc(C(C)C)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4-propan-2-ylaniline?
The InChIKey is TZICYXUYYCSQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-13-11-6-5-9(8(2)3)7-10(11)12/h5-8,13H,4H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-4-propan-2-ylaniline?
N-ethyl-2-fluoro-4-propan-2-ylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-propan-2-ylaniline is sourced from PubChem (CID 134414271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).