4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline

C15H17FN2 — CID 113295432

IUPAC4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C15H17FN2/c1-11-5-3-4-6-15(11)18(2)13-8-7-12(10-17)14(16)9-13/h3-9H,10,17H2,1-2H3
InChIKeyPSRGQVQAPNCWLA-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.36
Rot. Bonds3

About 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline

4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline (PubChem CID 113295432) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
PubChem CID113295432
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C15H17FN2/c1-11-5-3-4-6-15(11)18(2)13-8-7-12(10-17)14(16)9-13/h3-9H,10,17H2,1-2H3
InChIKeyPSRGQVQAPNCWLA-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)-3-fluoro-N,N-dimethylaniline
CID 83383786
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
4-(N,2-dimethylanilino)-2-fluorobenzoic acid
CID 113319816
2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 62493495
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
6-(aminomethyl)-N-methyl-N-(2-methylphenyl)pyridin-3-amine
CID 115486981
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63552513
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
CID 63786193
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline (CID 113295432) is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1N(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
The InChIKey is PSRGQVQAPNCWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-5-3-4-6-15(11)18(2)13-8-7-12(10-17)14(16)9-13/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline?
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline 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)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 113295432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).