N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine

C18H25F3N2O — CID 59487162

IUPACN-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine
SMILESCN(C1CCOCC1)C1CCC(c2ccc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-23(14-6-8-24-9-7-14)15-4-2-12(10-15)16-5-3-13(22)11-17(16)18(19,20)21/h3,5,11-12,14-15H,2,4,6-10,22H2,1H3
InChIKeyFYXAUNRYWSWURU-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.03
Rot. Bonds3

About N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine

N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine (PubChem CID 59487162) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine
PubChem CID59487162
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine
SMILESCN(C1CCOCC1)C1CCC(c2ccc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-23(14-6-8-24-9-7-14)15-4-2-12(10-15)16-5-3-13(22)11-17(16)18(19,20)21/h3,5,11-12,14-15H,2,4,6-10,22H2,1H3
InChIKeyFYXAUNRYWSWURU-UHFFFAOYSA-N
XLogP4.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholinomethyl)-3-(trifluoromethyl)aniline
CID 59864213
(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amine
CID 9877845
3-(Morpholin-4-ylmethyl)-4-(1,1,2,2,2-pentafluoroethyl)aniline
CID 21959471
4-(1-Methyl-piperidin-4-ylmethyl)-3-trifluoromethyl-phenylamine
CID 57556440
tert-butyl N-[4-[3-(oxan-4-ylamino)cyclopentyl]-3-(trifluoromethyl)phenyl]carbamate
CID 59487132
4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 59487184
tert-butyl N-[4-[3-[methyl(oxan-4-yl)amino]cyclopentyl]-3-(trifluoromethyl)phenyl]carbamate
CID 59487190
4-[(1-Propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline
CID 67315038
4-[(1-Ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline
CID 67315211
4-[(4-Methoxypiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 81118061
2-Fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline
CID 89112731
2-Fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 89112753

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine?
The IUPAC name of N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine (CID 59487162) is N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine is CN(C1CCOCC1)C1CCC(c2ccc(N)cc2C(F)(F)F)C1.
What is the InChIKey of N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine?
The InChIKey is FYXAUNRYWSWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-23(14-6-8-24-9-7-14)15-4-2-12(10-15)16-5-3-13(22)11-17(16)18(19,20)21/h3,5,11-12,14-15H,2,4,6-10,22H2,1H3.
What are the key properties of N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine?
N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine has a molecular weight of 342.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(trifluoromethyl)phenyl]cyclopentyl]-N-methyloxan-4-amine is sourced from PubChem (CID 59487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).