N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline

C15H17FN2 — CID 82294319

IUPACN-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(Nc2ccc(CN)cc2F)c1
InChIInChI=1S/C15H17FN2/c1-10-3-4-11(2)15(7-10)18-14-6-5-12(9-17)8-13(14)16/h3-8,18H,9,17H2,1-2H3
InChIKeyZZCORRHSDJVIKT-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.64
Rot. Bonds3

About N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline

N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline (PubChem CID 82294319) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
PubChem CID82294319
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(Nc2ccc(CN)cc2F)c1
InChIInChI=1S/C15H17FN2/c1-10-3-4-11(2)15(7-10)18-14-6-5-12(9-17)8-13(14)16/h3-8,18H,9,17H2,1-2H3
InChIKeyZZCORRHSDJVIKT-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
CID 82303954
5-(aminomethyl)-N-(2,5-dimethylphenyl)pyridin-2-amine
CID 82288074
4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
CID 82295213
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
CID 82297676
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106996652
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline?
The IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline (CID 82294319) is N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline?
The canonical SMILES for N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline is Cc1ccc(C)c(Nc2ccc(CN)cc2F)c1.
What is the InChIKey of N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline?
The InChIKey is ZZCORRHSDJVIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-3-4-11(2)15(7-10)18-14-6-5-12(9-17)8-13(14)16/h3-8,18H,9,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline?
N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline has a molecular weight of 244.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline is sourced from PubChem (CID 82294319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).