2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine

C14H21FN2 — CID 115125891

IUPAC2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(CCC1CCCC1)c1c(N)cccc1F
InChIInChI=1S/C14H21FN2/c1-17(10-9-11-5-2-3-6-11)14-12(15)7-4-8-13(14)16/h4,7-8,11H,2-3,5-6,9-10,16H2,1H3
InChIKeyNRQPNSIILKVNEB-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.42
Rot. Bonds4

About 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine

2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine (PubChem CID 115125891) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
PubChem CID115125891
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(CCC1CCCC1)c1c(N)cccc1F
InChIInChI=1S/C14H21FN2/c1-17(10-9-11-5-2-3-6-11)14-12(15)7-4-8-13(14)16/h4,7-8,11H,2-3,5-6,9-10,16H2,1H3
InChIKeyNRQPNSIILKVNEB-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine (CID 115125891) is 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine is CN(CCC1CCCC1)c1c(N)cccc1F.
What is the InChIKey of 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine?
The InChIKey is NRQPNSIILKVNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17(10-9-11-5-2-3-6-11)14-12(15)7-4-8-13(14)16/h4,7-8,11H,2-3,5-6,9-10,16H2,1H3.
What are the key properties of 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine?
2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115125891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).