1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

C15H16F2N2 — CID 116952168

IUPAC1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(CN)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-19-15(11-4-2-3-10(7-11)9-18)13-8-12(16)5-6-14(13)17/h2-8,15,19H,9,18H2,1H3
InChIKeyMZNCMGISADNRTK-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.73
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 116952168) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
PubChem CID116952168
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(CN)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-19-15(11-4-2-3-10(7-11)9-18)13-8-12(16)5-6-14(13)17/h2-8,15,19H,9,18H2,1H3
InChIKeyMZNCMGISADNRTK-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952228
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
CID 116936966
[(2,5-difluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105219304
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116952174
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 116952153
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (CID 116952168) is 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is CNC(c1cccc(CN)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is MZNCMGISADNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-19-15(11-4-2-3-10(7-11)9-18)13-8-12(16)5-6-14(13)17/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 262.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 116952168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).