5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol

C13H18F3NO — CID 62227696

IUPAC5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)12-6-4-5-11(9-12)10-17-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10H2
InChIKeyOSSUOPUJKJXOEZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.96
Rot. Bonds7

About 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol

5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (PubChem CID 62227696) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
PubChem CID62227696
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)12-6-4-5-11(9-12)10-17-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10H2
InChIKeyOSSUOPUJKJXOEZ-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
hydroxy-[3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 87514540
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
6-[[4-(butylamino)-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 23787462
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
5-[(3-bromophenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211575
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
1-(2-hydroxyethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 12622964
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (CID 62227696) is 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol is OCCCCCNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The InChIKey is OSSUOPUJKJXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c14-13(15,16)12-6-4-5-11(9-12)10-17-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10H2.
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 62227696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).