N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline

C13H18FN — CID 115928729

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

About N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline

N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline (PubChem CID 115928729) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
PubChem CID115928729
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NC(C)CC2CC2)c1
InChIInChI=1S/C13H18FN/c1-9-5-12(14)8-13(6-9)15-10(2)7-11-3-4-11/h5-6,8,10-11,15H,3-4,7H2,1-2H3
InChIKeyWJDILXQSOWRICJ-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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline (CID 115928729) is N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline is Cc1cc(F)cc(NC(C)CC2CC2)c1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline?
The InChIKey is WJDILXQSOWRICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-5-12(14)8-13(6-9)15-10(2)7-11-3-4-11/h5-6,8,10-11,15H,3-4,7H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline?
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-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)-3-fluoro-5-methylaniline is sourced from PubChem (CID 115928729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).