4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline

C15H16F3N3 — CID 43563877

IUPAC4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-21(10-11-4-6-20-7-5-11)13-3-2-12(9-19)14(8-13)15(16,17)18/h2-8H,9-10,19H2,1H3
InChIKeyLUCUNBFBCIGMIZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.20
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline

4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 43563877) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID43563877
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-21(10-11-4-6-20-7-5-11)13-3-2-12(9-19)14(8-13)15(16,17)18/h2-8H,9-10,19H2,1H3
InChIKeyLUCUNBFBCIGMIZ-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 61426224
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
CID 81053579
1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114947828
4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline
CID 43570547
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)aniline
CID 43569586
4-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 107080359
2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide
CID 62923272
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402498
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
CID 61450136
3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 114035262

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline (CID 43563877) is 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline is CN(Cc1ccncc1)c1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is LUCUNBFBCIGMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-21(10-11-4-6-20-7-5-11)13-3-2-12(9-19)14(8-13)15(16,17)18/h2-8H,9-10,19H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline?
4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 295.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43563877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).