N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine

C18H23FN2 — CID 62435559

IUPACN-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)Cc1ccccc1F
InChIInChI=1S/C18H23FN2/c1-3-20-12-15-8-4-5-9-16(15)13-21(2)14-17-10-6-7-11-18(17)19/h4-11,20H,3,12-14H2,1-2H3
InChIKeyIWXYDZBJBFLPTJ-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.57
Rot. Bonds7

About N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine

N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine (PubChem CID 62435559) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
PubChem CID62435559
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)Cc1ccccc1F
InChIInChI=1S/C18H23FN2/c1-3-20-12-15-8-4-5-9-16(15)13-21(2)14-17-10-6-7-11-18(17)19/h4-11,20H,3,12-14H2,1-2H3
InChIKeyIWXYDZBJBFLPTJ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
N-[[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906229
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 62436258
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine (CID 62435559) is N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN(C)Cc1ccccc1F.
What is the InChIKey of N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine?
The InChIKey is IWXYDZBJBFLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-20-12-15-8-4-5-9-16(15)13-21(2)14-17-10-6-7-11-18(17)19/h4-11,20H,3,12-14H2,1-2H3.
What are the key properties of N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine?
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine has a molecular weight of 286.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62435559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).