1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol

C14H21F2NO2 — CID 111468040

IUPAC1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNCc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO2/c1-10(2)12(18)7-8-17-9-11-5-3-4-6-13(11)19-14(15)16/h3-6,10,12,14,17-18H,7-9H2,1-2H3
InChIKeyDPSORZYOAVSERW-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.78
Rot. Bonds8

About 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol

1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol (PubChem CID 111468040) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
PubChem CID111468040
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNCc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO2/c1-10(2)12(18)7-8-17-9-11-5-3-4-6-13(11)19-14(15)16/h3-6,10,12,14,17-18H,7-9H2,1-2H3
InChIKeyDPSORZYOAVSERW-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.78
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

(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 60956611
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
N-[[2-(difluoromethoxy)phenyl]methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720660
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
1-[(2-methoxyphenyl)methylamino]pentan-3-ol
CID 115703090

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol (CID 111468040) is 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol is CC(C)C(O)CCNCc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol?
The InChIKey is DPSORZYOAVSERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(2)12(18)7-8-17-9-11-5-3-4-6-13(11)19-14(15)16/h3-6,10,12,14,17-18H,7-9H2,1-2H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol?
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol has a molecular weight of 273.32 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol is sourced from PubChem (CID 111468040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).