1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

C15H16F2N2 — CID 116952228

IUPAC1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(CN)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-19-15(11-4-2-10(9-18)3-5-11)13-8-12(16)6-7-14(13)17/h2-8,15,19H,9,18H2,1H3
InChIKeyZULRRKYAZWCNBL-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 116952228) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
PubChem CID116952228
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(CN)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-19-15(11-4-2-10(9-18)3-5-11)13-8-12(16)6-7-14(13)17/h2-8,15,19H,9,18H2,1H3
InChIKeyZULRRKYAZWCNBL-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-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952168
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
[(2,5-difluorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192702
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(5-fluoro-2-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 63509375
1-[4-(aminomethyl)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116952210
1-(2-chloro-6-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482973
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (CID 116952228) is 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(CN)cc1)c1cc(F)ccc1F.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is ZULRRKYAZWCNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-19-15(11-4-2-10(9-18)3-5-11)13-8-12(16)6-7-14(13)17/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
1-[4-(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-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 116952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).