4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline

C15H21F3N2 — CID 81116864

IUPAC4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCN(Cc1ccc(N)cc1C(F)(F)F)CC1CCCC1
InChIInChI=1S/C15H21F3N2/c1-20(9-11-4-2-3-5-11)10-12-6-7-13(19)8-14(12)15(16,17)18/h6-8,11H,2-5,9-10,19H2,1H3
InChIKeyWGHFXFFAPHTLEP-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.91
Rot. Bonds4

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

4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline (PubChem CID 81116864) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
PubChem CID81116864
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCN(Cc1ccc(N)cc1C(F)(F)F)CC1CCCC1
InChIInChI=1S/C15H21F3N2/c1-20(9-11-4-2-3-5-11)10-12-6-7-13(19)8-14(12)15(16,17)18/h6-8,11H,2-5,9-10,19H2,1H3
InChIKeyWGHFXFFAPHTLEP-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.91
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-[[methyl(oxan-2-ylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116723
4-[[bis(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117529
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81117739
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117963
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117841
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117129
2-[[cyclopentylmethyl(methyl)amino]methyl]pyridin-4-amine
CID 79251445

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline (CID 81116864) is 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline is CN(Cc1ccc(N)cc1C(F)(F)F)CC1CCCC1.
What is the InChIKey of 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
The InChIKey is WGHFXFFAPHTLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-20(9-11-4-2-3-5-11)10-12-6-7-13(19)8-14(12)15(16,17)18/h6-8,11H,2-5,9-10,19H2,1H3.
What are the key properties of 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline?
4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81116864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).