3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine

C13H18FN — CID 84722460

IUPAC3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine
SMILESNCCCc1ccccc1CC1(F)CC1
InChIInChI=1S/C13H18FN/c14-13(7-8-13)10-12-5-2-1-4-11(12)6-3-9-15/h1-2,4-5H,3,6-10,15H2
InChIKeyWPKXXLSBBXEIMF-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.62
Rot. Bonds5

About 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine

3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine (PubChem CID 84722460) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine
PubChem CID84722460
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine
SMILESNCCCc1ccccc1CC1(F)CC1
InChIInChI=1S/C13H18FN/c14-13(7-8-13)10-12-5-2-1-4-11(12)6-3-9-15/h1-2,4-5H,3,6-10,15H2
InChIKeyWPKXXLSBBXEIMF-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine?
The IUPAC name of 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine (CID 84722460) is 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine?
The canonical SMILES for 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine is NCCCc1ccccc1CC1(F)CC1.
What is the InChIKey of 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine?
The InChIKey is WPKXXLSBBXEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-13(7-8-13)10-12-5-2-1-4-11(12)6-3-9-15/h1-2,4-5H,3,6-10,15H2.
What are the key properties of 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine?
3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 84722460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).