N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline

C13H18FN — CID 115922487

IUPACN-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
SMILESCc1cc(NC(C)CC2CC2)ccc1F
InChIInChI=1S/C13H18FN/c1-9-7-12(5-6-13(9)14)15-10(2)8-11-3-4-11/h5-7,10-11,15H,3-4,8H2,1-2H3
InChIKeyRAQHAMJXQFOIGO-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.73
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline

N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline (PubChem CID 115922487) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
PubChem CID115922487
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
SMILESCc1cc(NC(C)CC2CC2)ccc1F
InChIInChI=1S/C13H18FN/c1-9-7-12(5-6-13(9)14)15-10(2)8-11-3-4-11/h5-7,10-11,15H,3-4,8H2,1-2H3
InChIKeyRAQHAMJXQFOIGO-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
CID 63478411
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
CID 115928729
5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
CID 107700272
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
CID 115917457
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
2-N-(4-fluoro-3-methylphenyl)-3-methylbutane-1,2-diamine
CID 115137867
N-(1-cyclobutylpropan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 113489689
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
N-(1-cyclopropylpropan-2-yl)quinolin-6-amine
CID 115928694

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline (CID 115922487) is N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline is Cc1cc(NC(C)CC2CC2)ccc1F.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline?
The InChIKey is RAQHAMJXQFOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-7-12(5-6-13(9)14)15-10(2)8-11-3-4-11/h5-7,10-11,15H,3-4,8H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline?
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline has a molecular weight of 207.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline is sourced from PubChem (CID 115922487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).