4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline

C15H23F3N2 — CID 81117760

IUPAC4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCC(C)CN(Cc1ccc(N)cc1C(F)(F)F)C(C)C
InChIInChI=1S/C15H23F3N2/c1-10(2)8-20(11(3)4)9-12-5-6-13(19)7-14(12)15(16,17)18/h5-7,10-11H,8-9,19H2,1-4H3
InChIKeyBMSQZYNDPPODQF-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.15
Rot. Bonds5

About 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline

4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline (PubChem CID 81117760) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline
PubChem CID81117760
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCC(C)CN(Cc1ccc(N)cc1C(F)(F)F)C(C)C
InChIInChI=1S/C15H23F3N2/c1-10(2)8-20(11(3)4)9-12-5-6-13(19)7-14(12)15(16,17)18/h5-7,10-11H,8-9,19H2,1-4H3
InChIKeyBMSQZYNDPPODQF-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(2-methylpropyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117539
3-[[4-amino-2-(trifluoromethyl)phenyl]methyl-ethylamino]-2-methylpropanenitrile
CID 81116637
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
4-(propan-2-ylsulfonylmethyl)-3-(trifluoromethyl)aniline
CID 81117982
4-(fluoromethyl)-3-(trifluoromethyl)aniline
CID 91883575
4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81118120
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81116722
3-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropanal
CID 91884199
4-[[bis(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117529
CID 147886806
CID 147886806
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117412
4-chloro-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006702

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline (CID 81117760) is 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline is CC(C)CN(Cc1ccc(N)cc1C(F)(F)F)C(C)C.
What is the InChIKey of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline?
The InChIKey is BMSQZYNDPPODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-10(2)8-20(11(3)4)9-12-5-6-13(19)7-14(12)15(16,17)18/h5-7,10-11H,8-9,19H2,1-4H3.
What are the key properties of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline?
4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline has a molecular weight of 288.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81117760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).