N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine

C17H24F2N2 — CID 63681537

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC2CCC1C2)C(CN)c1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2/c1-21(10-13-7-11-2-3-12(13)6-11)17(9-20)15-8-14(18)4-5-16(15)19/h4-5,8,11-13,17H,2-3,6-7,9-10,20H2,1H3
InChIKeyONGFBFXDFPNWCC-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.33
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 63681537) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine
PubChem CID63681537
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC2CCC1C2)C(CN)c1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2/c1-21(10-13-7-11-2-3-12(13)6-11)17(9-20)15-8-14(18)4-5-16(15)19/h4-5,8,11-13,17H,2-3,6-7,9-10,20H2,1H3
InChIKeyONGFBFXDFPNWCC-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine with MolForge

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Related Compounds

1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 63688840
N'-[2-amino-1-(2,5-difluorophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226755
1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61425409
1-(2,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206811
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 63688861
[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
CID 63681815
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
CID 115366879
1-(2,5-difluorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79475845
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 63682953
1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002810

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine (CID 63681537) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine is CN(CC1CC2CCC1C2)C(CN)c1cc(F)ccc1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is ONGFBFXDFPNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-21(10-13-7-11-2-3-12(13)6-11)17(9-20)15-8-14(18)4-5-16(15)19/h4-5,8,11-13,17H,2-3,6-7,9-10,20H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 294.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63681537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).