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

C14H21FN2 — CID 55085570

IUPACN'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)C1CCCC1
InChIInChI=1S/C14H21FN2/c1-17(12-6-2-3-7-12)11-10-16-14-9-5-4-8-13(14)15/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3
InChIKeyZPPUCMRDCLWFLJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.11
Rot. Bonds5

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

N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 55085570) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID55085570
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1F)C1CCCC1
InChIInChI=1S/C14H21FN2/c1-17(12-6-2-3-7-12)11-10-16-14-9-5-4-8-13(14)15/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3
InChIKeyZPPUCMRDCLWFLJ-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560518
N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62560256
3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
CID 63314499
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
CID 62555695
1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine
CID 55203728
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
CID 103911705
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
CID 79834906

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine (CID 55085570) is N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CCNc1ccccc1F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is ZPPUCMRDCLWFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17(12-6-2-3-7-12)11-10-16-14-9-5-4-8-13(14)15/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3.
What are the key properties of N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55085570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).