4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol

C14H21F2NO3 — CID 66089640

IUPAC4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
SMILESCOc1cccc(CNCC(C)CCO)c1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-10(6-7-18)8-17-9-11-4-3-5-12(19-2)13(11)20-14(15)16/h3-5,10,14,17-18H,6-9H2,1-2H3
InChIKeyPFOGXORPMUVLCS-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.40
Rot. Bonds9

About 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol

4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol (PubChem CID 66089640) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
PubChem CID66089640
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
SMILESCOc1cccc(CNCC(C)CCO)c1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-10(6-7-18)8-17-9-11-4-3-5-12(19-2)13(11)20-14(15)16/h3-5,10,14,17-18H,6-9H2,1-2H3
InChIKeyPFOGXORPMUVLCS-UHFFFAOYSA-N
XLogP2.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122574
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylsulfanylbutan-1-amine
CID 115604448
4-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-3-methylbutan-1-ol
CID 111469652
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61464281
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
CID 106187407
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
CID 43406329
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol (CID 66089640) is 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol is COc1cccc(CNCC(C)CCO)c1OC(F)F.
What is the InChIKey of 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol?
The InChIKey is PFOGXORPMUVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-10(6-7-18)8-17-9-11-4-3-5-12(19-2)13(11)20-14(15)16/h3-5,10,14,17-18H,6-9H2,1-2H3.
What are the key properties of 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol?
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol has a molecular weight of 289.32 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66089640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).