3-(aminomethyl)-4-fluoro-N-methylaniline

C8H11FN2 — CID 82502624

IUPAC3-(aminomethyl)-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)c(CN)c1
InChIInChI=1S/C8H11FN2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,11H,5,10H2,1H3
InChIKeyBDYSTZSWSNAJHH-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.33
Rot. Bonds2

About 3-(aminomethyl)-4-fluoro-N-methylaniline

3-(aminomethyl)-4-fluoro-N-methylaniline (PubChem CID 82502624) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-methylaniline
PubChem CID82502624
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-(aminomethyl)-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)c(CN)c1
InChIInChI=1S/C8H11FN2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,11H,5,10H2,1H3
InChIKeyBDYSTZSWSNAJHH-UHFFFAOYSA-N
XLogP1.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-(fluoromethyl)-N-methylaniline
CID 118176037
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
3,4-difluoro-N-methylaniline;ethane
CID 143398651
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
3-(aminomethyl)-N-methyl-4-nitroaniline
CID 82503839
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
3,4-difluoro-N-methylaniline;methanimine
CID 144600669
[2-fluoro-4-(methylamino)phenyl]methanethiol
CID 176555737
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-methylaniline (CID 82502624) is 3-(aminomethyl)-4-fluoro-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-methylaniline is CNc1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-methylaniline?
The InChIKey is BDYSTZSWSNAJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,11H,5,10H2,1H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-N-methylaniline?
3-(aminomethyl)-4-fluoro-N-methylaniline has a molecular weight of 154.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-methylaniline is sourced from PubChem (CID 82502624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).