1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine

C13H16FN — CID 117293738

IUPAC1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(C3CC3)c(F)c2)CC1
InChIInChI=1S/C13H16FN/c14-12-7-9(8-13(15)5-6-13)1-4-11(12)10-2-3-10/h1,4,7,10H,2-3,5-6,8,15H2
InChIKeyJIFZOKWGVCMJFG-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.74
Rot. Bonds3

About 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine

1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 117293738) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
PubChem CID117293738
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(C3CC3)c(F)c2)CC1
InChIInChI=1S/C13H16FN/c14-12-7-9(8-13(15)5-6-13)1-4-11(12)10-2-3-10/h1,4,7,10H,2-3,5-6,8,15H2
InChIKeyJIFZOKWGVCMJFG-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine (CID 117293738) is 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2ccc(C3CC3)c(F)c2)CC1.
What is the InChIKey of 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is JIFZOKWGVCMJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-7-9(8-13(15)5-6-13)1-4-11(12)10-2-3-10/h1,4,7,10H,2-3,5-6,8,15H2.
What are the key properties of 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine?
1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117293738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).