1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine

C15H20F2N2 — CID 54881039

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
SMILESFc1cccc(CNCC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C15H20F2N2/c16-14-3-1-2-12(15(14)17)9-18-8-11-6-7-19(10-11)13-4-5-13/h1-3,11,13,18H,4-10H2
InChIKeyVFBXNGQRQHSNPT-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.54
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine (PubChem CID 54881039) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
PubChem CID54881039
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
SMILESFc1cccc(CNCC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C15H20F2N2/c16-14-3-1-2-12(15(14)17)9-18-8-11-6-7-19(10-11)13-4-5-13/h1-3,11,13,18H,4-10H2
InChIKeyVFBXNGQRQHSNPT-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine (CID 54881039) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine is Fc1cccc(CNCC2CCN(C3CC3)C2)c1F.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine?
The InChIKey is VFBXNGQRQHSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-14-3-1-2-12(15(14)17)9-18-8-11-6-7-19(10-11)13-4-5-13/h1-3,11,13,18H,4-10H2.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine has a molecular weight of 266.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 54881039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).