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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Related Compounds

N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
CID 42794741
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 16677828
N,N-dimethyl-N'-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961962
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-methoxypropan-2-ol
CID 42794797
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]hex-5-en-2-ol
CID 7296045
N-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 58225638
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208

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).