N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine

C17H26FN3 — CID 84753207

IUPACN'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
SMILESC=CCN(CC=C)Cc1ccc(F)c(N(C)CCNC)c1
InChIInChI=1S/C17H26FN3/c1-5-10-21(11-6-2)14-15-7-8-16(18)17(13-15)20(4)12-9-19-3/h5-8,13,19H,1-2,9-12,14H2,3-4H3
InChIKeyPBELQOWDZPAQJL-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.66
Rot. Bonds10

About N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine

N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 84753207) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID84753207
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
SMILESC=CCN(CC=C)Cc1ccc(F)c(N(C)CCNC)c1
InChIInChI=1S/C17H26FN3/c1-5-10-21(11-6-2)14-15-7-8-16(18)17(13-15)20(4)12-9-19-3/h5-8,13,19H,1-2,9-12,14H2,3-4H3
InChIKeyPBELQOWDZPAQJL-UHFFFAOYSA-N
XLogP2.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[4-fluoro-3-[methyl-[2-(methylamino)ethyl]amino]phenyl]methyl-propylamino]propanoic acid
CID 84753223
N'-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
CID 84753188
N-butyl-2-fluoro-N-methyl-5-[(prop-2-enylamino)methyl]aniline
CID 84753849
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
CID 117108084
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023
N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline
CID 84753592
3-[[3-[carboxymethyl(methyl)amino]-4-fluorophenyl]methyl-ethylamino]propanoic acid
CID 84753123
5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane
CID 142359986
N'-[(4-bromo-3-fluorophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 81436013
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpent-4-en-1-amine
CID 107455677
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416

Frequently Asked Questions

What is the IUPAC name of N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine (CID 84753207) is N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine is C=CCN(CC=C)Cc1ccc(F)c(N(C)CCNC)c1.
What is the InChIKey of N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PBELQOWDZPAQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-5-10-21(11-6-2)14-15-7-8-16(18)17(13-15)20(4)12-9-19-3/h5-8,13,19H,1-2,9-12,14H2,3-4H3.
What are the key properties of N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 291.41 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[bis(prop-2-enyl)amino]methyl]-2-fluorophenyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 84753207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).