3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol

C14H21F2NO3 — CID 51080580

IUPAC3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
SMILESCCOc1cc(CN(C)CCCO)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-3-19-13-9-11(10-17(2)7-4-8-18)5-6-12(13)20-14(15)16/h5-6,9,14,18H,3-4,7-8,10H2,1-2H3
InChIKeyJBVXGCMLSFZMPF-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.50
Rot. Bonds9

About 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol

3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol (PubChem CID 51080580) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
PubChem CID51080580
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
SMILESCCOc1cc(CN(C)CCCO)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-3-19-13-9-11(10-17(2)7-4-8-18)5-6-12(13)20-14(15)16/h5-6,9,14,18H,3-4,7-8,10H2,1-2H3
InChIKeyJBVXGCMLSFZMPF-UHFFFAOYSA-N
XLogP2.50
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
CID 51078381
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55852083
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
N-(tert-butylcarbamoyl)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
CID 55627952
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 55628161
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol (CID 51080580) is 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol is CCOc1cc(CN(C)CCCO)ccc1OC(F)F.
What is the InChIKey of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol?
The InChIKey is JBVXGCMLSFZMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-3-19-13-9-11(10-17(2)7-4-8-18)5-6-12(13)20-14(15)16/h5-6,9,14,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol?
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol has a molecular weight of 289.32 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 51080580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).