N-cyclopropyl-2-fluoro-N-propan-2-ylaniline

C12H16FN — CID 176746862

IUPACN-cyclopropyl-2-fluoro-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1F)C1CC1
InChIInChI=1S/C12H16FN/c1-9(2)14(10-7-8-10)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYJUYACWTFXHQNB-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.20
Rot. Bonds3

About N-cyclopropyl-2-fluoro-N-propan-2-ylaniline

N-cyclopropyl-2-fluoro-N-propan-2-ylaniline (PubChem CID 176746862) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-propan-2-ylaniline
PubChem CID176746862
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-cyclopropyl-2-fluoro-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1F)C1CC1
InChIInChI=1S/C12H16FN/c1-9(2)14(10-7-8-10)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYJUYACWTFXHQNB-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814
2-fluoro-N,N-di(propan-2-yl)aniline
CID 67920255
N-(2-fluorophenyl)-N-propan-2-ylbenzamide
CID 141030490
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 64750042
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
1-N-(2-fluorophenyl)-1-N-methylcyclohexane-1,3-diamine
CID 79468923
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
3-(2-fluoro-N-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318676

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-propan-2-ylaniline?
The IUPAC name of N-cyclopropyl-2-fluoro-N-propan-2-ylaniline (CID 176746862) is N-cyclopropyl-2-fluoro-N-propan-2-ylaniline.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-propan-2-ylaniline?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-propan-2-ylaniline is CC(C)N(c1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-propan-2-ylaniline?
The InChIKey is YJUYACWTFXHQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9(2)14(10-7-8-10)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-2-fluoro-N-propan-2-ylaniline?
N-cyclopropyl-2-fluoro-N-propan-2-ylaniline has a molecular weight of 193.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-propan-2-ylaniline is sourced from PubChem (CID 176746862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).