4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline

C15H17FN2 — CID 55207918

IUPAC4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)c1ccccc1F
InChIInChI=1S/C15H17FN2/c1-11-9-12(10-17)7-8-14(11)18(2)15-6-4-3-5-13(15)16/h3-9H,10,17H2,1-2H3
InChIKeyUNYQMNPFDYDWQE-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.36
Rot. Bonds3

About 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline

4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline (PubChem CID 55207918) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
PubChem CID55207918
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)c1ccccc1F
InChIInChI=1S/C15H17FN2/c1-11-9-12(10-17)7-8-14(11)18(2)15-6-4-3-5-13(15)16/h3-9H,10,17H2,1-2H3
InChIKeyUNYQMNPFDYDWQE-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
CID 114889622
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 55091797
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 115502881
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 62493495
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-fluoroaniline
CID 62019121

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline (CID 55207918) is 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline is Cc1cc(CN)ccc1N(C)c1ccccc1F.
What is the InChIKey of 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline?
The InChIKey is UNYQMNPFDYDWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-9-12(10-17)7-8-14(11)18(2)15-6-4-3-5-13(15)16/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline?
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline has a molecular weight of 244.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline is sourced from PubChem (CID 55207918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).