N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline

C14H18FN — CID 79054393

IUPACN-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H18FN/c1-9-6-12(15)8-13(7-9)16-14(10-2-3-10)11-4-5-11/h6-8,10-11,14,16H,2-5H2,1H3
InChIKeyLTHYIYRUJAOJMS-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.73
Rot. Bonds4

About N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline

N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline (PubChem CID 79054393) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
PubChem CID79054393
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H18FN/c1-9-6-12(15)8-13(7-9)16-14(10-2-3-10)11-4-5-11/h6-8,10-11,14,16H,2-5H2,1H3
InChIKeyLTHYIYRUJAOJMS-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
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-(dicyclopropylmethyl)-3-fluoro-5-methylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline (CID 79054393) is N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline is Cc1cc(F)cc(NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline?
The InChIKey is LTHYIYRUJAOJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-9-6-12(15)8-13(7-9)16-14(10-2-3-10)11-4-5-11/h6-8,10-11,14,16H,2-5H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline?
N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline has a molecular weight of 219.30 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-(dicyclopropylmethyl)-3-fluoro-5-methylaniline is sourced from PubChem (CID 79054393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).