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

C14H21F2NO2 — CID 61247131

IUPAC2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO2/c1-10(2)7-12(9-18)17-8-11-5-3-4-6-13(11)19-14(15)16/h3-6,10,12,14,17-18H,7-9H2,1-2H3
InChIKeyQKOLWGPNZZELHH-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.78
Rot. Bonds8

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

2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol (PubChem CID 61247131) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
PubChem CID61247131
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO2/c1-10(2)7-12(9-18)17-8-11-5-3-4-6-13(11)19-14(15)16/h3-6,10,12,14,17-18H,7-9H2,1-2H3
InChIKeyQKOLWGPNZZELHH-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

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 61240689
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol (CID 61247131) is 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol?
The InChIKey is QKOLWGPNZZELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(2)7-12(9-18)17-8-11-5-3-4-6-13(11)19-14(15)16/h3-6,10,12,14,17-18H,7-9H2,1-2H3.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol?
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-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 2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61247131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).