1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

C14H21FN2 — CID 113448204

IUPAC1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-17(13-8-4-7-12(15)9-13)10-14(16)11-5-2-3-6-11/h4,7-9,11,14H,2-3,5-6,10,16H2,1H3
InChIKeyWAFSEJZDFVHQDF-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds4

About 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 113448204) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID113448204
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-17(13-8-4-7-12(15)9-13)10-14(16)11-5-2-3-6-11/h4,7-9,11,14H,2-3,5-6,10,16H2,1H3
InChIKeyWAFSEJZDFVHQDF-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (CID 113448204) is 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CC(N)C1CCCC1)c1cccc(F)c1.
What is the InChIKey of 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is WAFSEJZDFVHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17(13-8-4-7-12(15)9-13)10-14(16)11-5-2-3-6-11/h4,7-9,11,14H,2-3,5-6,10,16H2,1H3.
What are the key properties of 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113448204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).