N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine

C16H22FN — CID 114229695

IUPACN-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1(C)c1ccccc1F
InChIInChI=1S/C16H22FN/c1-15(2)14(10-18-11-8-9-11)16(15,3)12-6-4-5-7-13(12)17/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyXXRMLJXAKNVRQP-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.49
Rot. Bonds4

About N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine

N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine (PubChem CID 114229695) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
PubChem CID114229695
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1(C)c1ccccc1F
InChIInChI=1S/C16H22FN/c1-15(2)14(10-18-11-8-9-11)16(15,3)12-6-4-5-7-13(12)17/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyXXRMLJXAKNVRQP-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine (CID 114229695) is N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine is CC1(C)C(CNC2CC2)C1(C)c1ccccc1F.
What is the InChIKey of N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is XXRMLJXAKNVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-15(2)14(10-18-11-8-9-11)16(15,3)12-6-4-5-7-13(12)17/h4-7,11,14,18H,8-10H2,1-3H3.
What are the key properties of N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 247.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 114229695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).