4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline

C15H19F3N2 — CID 81117963

IUPAC4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(CN(CC2CC2)C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)14-7-12(19)4-3-11(14)9-20(13-5-6-13)8-10-1-2-10/h3-4,7,10,13H,1-2,5-6,8-9,19H2
InChIKeyDALTYLMWGJMNDV-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.66
Rot. Bonds5

About 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline

4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline (PubChem CID 81117963) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
PubChem CID81117963
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(CN(CC2CC2)C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)14-7-12(19)4-3-11(14)9-20(13-5-6-13)8-10-1-2-10/h3-4,7,10,13H,1-2,5-6,8-9,19H2
InChIKeyDALTYLMWGJMNDV-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.66
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-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117129
4-[[bis(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117529
4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116864
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
4-(2-cyclopropylethoxymethyl)-3-(trifluoromethyl)aniline
CID 106199866
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125
4-[[methyl(oxan-2-ylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116723
4-(fluoromethyl)-3-(trifluoromethyl)aniline
CID 91883575
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117841
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81117739
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline (CID 81117963) is 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline is Nc1ccc(CN(CC2CC2)C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline?
The InChIKey is DALTYLMWGJMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c16-15(17,18)14-7-12(19)4-3-11(14)9-20(13-5-6-13)8-10-1-2-10/h3-4,7,10,13H,1-2,5-6,8-9,19H2.
What are the key properties of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline?
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline has a molecular weight of 284.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81117963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).