[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine

C16H22F2N2O — CID 117113342

IUPAC[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2N2CCOCC2)CCCC1
InChIInChI=1S/C16H22F2N2O/c17-13-9-12(16(11-19)3-1-2-4-16)15(10-14(13)18)20-5-7-21-8-6-20/h9-10H,1-8,11,19H2
InChIKeyIXKHHCXQYVTCRT-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.57
Rot. Bonds3

About [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine

[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine (PubChem CID 117113342) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine
PubChem CID117113342
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2N2CCOCC2)CCCC1
InChIInChI=1S/C16H22F2N2O/c17-13-9-12(16(11-19)3-1-2-4-16)15(10-14(13)18)20-5-7-21-8-6-20/h9-10H,1-8,11,19H2
InChIKeyIXKHHCXQYVTCRT-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine (CID 117113342) is [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine is NCC1(c2cc(F)c(F)cc2N2CCOCC2)CCCC1.
What is the InChIKey of [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine?
The InChIKey is IXKHHCXQYVTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-13-9-12(16(11-19)3-1-2-4-16)15(10-14(13)18)20-5-7-21-8-6-20/h9-10H,1-8,11,19H2.
What are the key properties of [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine?
[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine has a molecular weight of 296.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117113342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).