1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine

C15H22F2N2 — CID 115117729

IUPAC1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine
SMILESCC(C)(CNC1CCCC1N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-15(2,9-19-14-5-3-4-13(14)18)10-6-7-11(16)12(17)8-10/h6-8,13-14,19H,3-5,9,18H2,1-2H3
InChIKeyXGVMTIVQVAVCRV-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.71
Rot. Bonds4

About 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine

1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine (PubChem CID 115117729) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine
PubChem CID115117729
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine
SMILESCC(C)(CNC1CCCC1N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-15(2,9-19-14-5-3-4-13(14)18)10-6-7-11(16)12(17)8-10/h6-8,13-14,19H,3-5,9,18H2,1-2H3
InChIKeyXGVMTIVQVAVCRV-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine (CID 115117729) is 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine is CC(C)(CNC1CCCC1N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The InChIKey is XGVMTIVQVAVCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-15(2,9-19-14-5-3-4-13(14)18)10-6-7-11(16)12(17)8-10/h6-8,13-14,19H,3-5,9,18H2,1-2H3.
What are the key properties of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine has a molecular weight of 268.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).