1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C15H23F2N3 — CID 106528656

IUPAC1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N3/c1-19(6-7-20-4-2-3-5-20)15(11-18)12-8-13(16)10-14(17)9-12/h8-10,15H,2-7,11,18H2,1H3
InChIKeyOEKUESOPFOVFRT-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.99
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 106528656) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID106528656
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N3/c1-19(6-7-20-4-2-3-5-20)15(11-18)12-8-13(16)10-14(17)9-12/h8-10,15H,2-7,11,18H2,1H3
InChIKeyOEKUESOPFOVFRT-UHFFFAOYSA-N
XLogP1.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 114453406
1-(2,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206811
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206890
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206721
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 106528505
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206934
1-(2-ethylphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206559
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-N-propylethane-1,2-diamine
CID 115350824

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 106528656) is 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CN(CCN1CCCC1)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is OEKUESOPFOVFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-19(6-7-20-4-2-3-5-20)15(11-18)12-8-13(16)10-14(17)9-12/h8-10,15H,2-7,11,18H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 283.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 106528656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).