2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline

C15H16F2N2 — CID 43313878

IUPAC2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(F)c1)c1ccc(F)cc1CN
InChIInChI=1S/C15H16F2N2/c1-19(10-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyPAYAOJHFAFLYMQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.06
Rot. Bonds4

About 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline

2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline (PubChem CID 43313878) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
PubChem CID43313878
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(F)c1)c1ccc(F)cc1CN
InChIInChI=1S/C15H16F2N2/c1-19(10-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyPAYAOJHFAFLYMQ-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

2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
2-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
CID 115213176
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline (CID 43313878) is 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline is CN(Cc1cccc(F)c1)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is PAYAOJHFAFLYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-19(10-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-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 2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 43313878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).