5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol

C13H18ClF2NO2 — CID 107302833

IUPAC5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C13H18ClF2NO2/c14-11-4-5-12(19-13(15)16)10(8-11)9-17-6-2-1-3-7-18/h4-5,8,13,17-18H,1-3,6-7,9H2
InChIKeyMOQCBWOJEONYIO-UHFFFAOYSA-N
MW293.74 g/mol
LogP3.19
Rot. Bonds9

About 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol

5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol (PubChem CID 107302833) has the molecular formula C13H18ClF2NO2 and a molecular weight of 293.74 g/mol. Its IUPAC name is 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
PubChem CID107302833
Molecular FormulaC13H18ClF2NO2
Molecular Weight293.74 g/mol
Exact Mass293.10
IUPAC Name5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C13H18ClF2NO2/c14-11-4-5-12(19-13(15)16)10(8-11)9-17-6-2-1-3-7-18/h4-5,8,13,17-18H,1-3,6-7,9H2
InChIKeyMOQCBWOJEONYIO-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 43425082
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-but-3-enoxy-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 103854557
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 43425059
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
CID 111470408
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 62349799

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol (CID 107302833) is 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol is OCCCCCNCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol?
The InChIKey is MOQCBWOJEONYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2NO2/c14-11-4-5-12(19-13(15)16)10(8-11)9-17-6-2-1-3-7-18/h4-5,8,13,17-18H,1-3,6-7,9H2.
What are the key properties of 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol?
5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol has a molecular weight of 293.74 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 107302833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).