N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C22H27FN4 — CID 43818185

IUPACN'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccn1)Cc1cccn1Cc1ccccc1F
InChIInChI=1S/C22H27FN4/c1-25(2)14-15-26(17-20-9-5-6-12-24-20)18-21-10-7-13-27(21)16-19-8-3-4-11-22(19)23/h3-13H,14-18H2,1-2H3
InChIKeyQIOQBXNMSBVGQW-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.63
Rot. Bonds9

About N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43818185) has the molecular formula C22H27FN4 and a molecular weight of 366.48 g/mol. Its IUPAC name is N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID43818185
Molecular FormulaC22H27FN4
Molecular Weight366.48 g/mol
Exact Mass366.22
IUPAC NameN'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccn1)Cc1cccn1Cc1ccccc1F
InChIInChI=1S/C22H27FN4/c1-25(2)14-15-26(17-20-9-5-6-12-24-20)18-21-10-7-13-27(21)16-19-8-3-4-11-22(19)23/h3-13H,14-18H2,1-2H3
InChIKeyQIOQBXNMSBVGQW-UHFFFAOYSA-N
XLogP3.63
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 43818185) is N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1ccccn1)Cc1cccn1Cc1ccccc1F.
What is the InChIKey of N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is QIOQBXNMSBVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4/c1-25(2)14-15-26(17-20-9-5-6-12-24-20)18-21-10-7-13-27(21)16-19-8-3-4-11-22(19)23/h3-13H,14-18H2,1-2H3.
What are the key properties of N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 366.48 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43818185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).