N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline

C15H16F2N2 — CID 115213176

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
SMILESCN(Cc1ccc(CN)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-19(15-8-13(16)6-7-14(15)17)10-12-4-2-11(9-18)3-5-12/h2-8H,9-10,18H2,1H3
InChIKeyNZUADWNGCJMACB-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.06
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline

N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline (PubChem CID 115213176) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
PubChem CID115213176
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
SMILESCN(Cc1ccc(CN)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-19(15-8-13(16)6-7-14(15)17)10-12-4-2-11(9-18)3-5-12/h2-8H,9-10,18H2,1H3
InChIKeyNZUADWNGCJMACB-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
CID 117041619
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
[4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213240
(2,5-difluoro-N-methylanilino)methanethiol
CID 115227749
2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline
CID 115260602
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline (CID 115213176) is N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline is CN(Cc1ccc(CN)cc1)c1cc(F)ccc1F.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline?
The InChIKey is NZUADWNGCJMACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-19(15-8-13(16)6-7-14(15)17)10-12-4-2-11(9-18)3-5-12/h2-8H,9-10,18H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline?
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline has a molecular weight of 262.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline is sourced from PubChem (CID 115213176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).