(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine

C14H18F2N2 — CID 82545132

IUPAC(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2c(F)cc(F)cc2CN1C1CCCC1
InChIInChI=1S/C14H18F2N2/c15-10-5-9-8-18(11-3-1-2-4-11)13(7-17)14(9)12(16)6-10/h5-6,11,13H,1-4,7-8,17H2
InChIKeyIYEMNJRINXVPNH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.72
Rot. Bonds2

About (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine

(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545132) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545132
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2c(F)cc(F)cc2CN1C1CCCC1
InChIInChI=1S/C14H18F2N2/c15-10-5-9-8-18(11-3-1-2-4-11)13(7-17)14(9)12(16)6-10/h5-6,11,13H,1-4,7-8,17H2
InChIKeyIYEMNJRINXVPNH-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine (CID 82545132) is (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2c(F)cc(F)cc2CN1C1CCCC1.
What is the InChIKey of (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is IYEMNJRINXVPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-10-5-9-8-18(11-3-1-2-4-11)13(7-17)14(9)12(16)6-10/h5-6,11,13H,1-4,7-8,17H2.
What are the key properties of (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine?
(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 252.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).