N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C17H21F2N3 — CID 16676739

IUPACN'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccncc1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H21F2N3/c1-21(2)7-8-22(12-14-3-5-20-6-4-14)13-15-9-16(18)11-17(19)10-15/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyOFYCCOPTBHXSRP-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.92
Rot. Bonds7

About N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 16676739) has the molecular formula C17H21F2N3 and a molecular weight of 305.37 g/mol. Its IUPAC name is N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID16676739
Molecular FormulaC17H21F2N3
Molecular Weight305.37 g/mol
Exact Mass305.17
IUPAC NameN'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccncc1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H21F2N3/c1-21(2)7-8-22(12-14-3-5-20-6-4-14)13-15-9-16(18)11-17(19)10-15/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyOFYCCOPTBHXSRP-UHFFFAOYSA-N
XLogP2.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 16676739) is N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1ccncc1)Cc1cc(F)cc(F)c1.
What is the InChIKey of N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is OFYCCOPTBHXSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3/c1-21(2)7-8-22(12-14-3-5-20-6-4-14)13-15-9-16(18)11-17(19)10-15/h3-6,9-11H,7-8,12-13H2,1-2H3.
What are the key properties of N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 305.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 16676739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).