2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

C15H21F3N2O — CID 107481489

IUPAC2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)ccc1CNC1CC1
InChIInChI=1S/C15H21F3N2O/c1-11-8-14(20(6-7-21)10-15(16,17)18)5-2-12(11)9-19-13-3-4-13/h2,5,8,13,19,21H,3-4,6-7,9-10H2,1H3
InChIKeyVSFXMHJYZRTWLW-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.61
Rot. Bonds7

About 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107481489) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107481489
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)ccc1CNC1CC1
InChIInChI=1S/C15H21F3N2O/c1-11-8-14(20(6-7-21)10-15(16,17)18)5-2-12(11)9-19-13-3-4-13/h2,5,8,13,19,21H,3-4,6-7,9-10H2,1H3
InChIKeyVSFXMHJYZRTWLW-UHFFFAOYSA-N
XLogP2.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62129967
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63553253
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzonitrile
CID 107479609
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
CID 62135574
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
CID 62135558
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107481489) is 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is Cc1cc(N(CCO)CC(F)(F)F)ccc1CNC1CC1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is VSFXMHJYZRTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-8-14(20(6-7-21)10-15(16,17)18)5-2-12(11)9-19-13-3-4-13/h2,5,8,13,19,21H,3-4,6-7,9-10H2,1H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107481489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).