N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

C25H30FN3 — CID 143170122

IUPACN'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(CN)c1)Cc1ccccc1-c1ccccc1F
InChIInChI=1S/C25H30FN3/c1-28(2)14-15-29(18-21-9-7-8-20(16-21)17-27)19-22-10-3-4-11-23(22)24-12-5-6-13-25(24)26/h3-13,16H,14-15,17-19,27H2,1-2H3
InChIKeyHDRAJHNFQNXVNN-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.52
Rot. Bonds9

About N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 143170122) has the molecular formula C25H30FN3 and a molecular weight of 391.53 g/mol. Its IUPAC name is N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID143170122
Molecular FormulaC25H30FN3
Molecular Weight391.53 g/mol
Exact Mass391.24
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(CN)c1)Cc1ccccc1-c1ccccc1F
InChIInChI=1S/C25H30FN3/c1-28(2)14-15-29(18-21-9-7-8-20(16-21)17-27)19-22-10-3-4-11-23(22)24-12-5-6-13-25(24)26/h3-13,16H,14-15,17-19,27H2,1-2H3
InChIKeyHDRAJHNFQNXVNN-UHFFFAOYSA-N
XLogP4.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (CID 143170122) is N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1cccc(CN)c1)Cc1ccccc1-c1ccccc1F.
What is the InChIKey of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is HDRAJHNFQNXVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3/c1-28(2)14-15-29(18-21-9-7-8-20(16-21)17-27)19-22-10-3-4-11-23(22)24-12-5-6-13-25(24)26/h3-13,16H,14-15,17-19,27H2,1-2H3.
What are the key properties of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 391.53 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(aminomethyl)phenyl]methyl]-N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 143170122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).