N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine

C17H20F2N2 — CID 105402834

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESCCN(Cc1cc(F)cc(F)c1)Cc1ccccc1CN
InChIInChI=1S/C17H20F2N2/c1-2-21(11-13-7-16(18)9-17(19)8-13)12-15-6-4-3-5-14(15)10-20/h3-9H,2,10-12,20H2,1H3
InChIKeyYHSMYKYINIGEEP-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.45
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine

N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 105402834) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine
PubChem CID105402834
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESCCN(Cc1cc(F)cc(F)c1)Cc1ccccc1CN
InChIInChI=1S/C17H20F2N2/c1-2-21(11-13-7-16(18)9-17(19)8-13)12-15-6-4-3-5-14(15)10-20/h3-9H,2,10-12,20H2,1H3
InChIKeyYHSMYKYINIGEEP-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine (CID 105402834) is N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine is CCN(Cc1cc(F)cc(F)c1)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is YHSMYKYINIGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-2-21(11-13-7-16(18)9-17(19)8-13)12-15-6-4-3-5-14(15)10-20/h3-9H,2,10-12,20H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine?
N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 290.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 105402834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).