3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol

C14H21F2NO4 — CID 66169814

IUPAC3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol
SMILESCCOc1cc(CNCC(C)(O)CO)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO4/c1-3-20-12-6-10(4-5-11(12)21-13(15)16)7-17-8-14(2,19)9-18/h4-6,13,17-19H,3,7-9H2,1-2H3
InChIKeyQDKFEPXUDKCERX-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.52
Rot. Bonds9

About 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol

3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol (PubChem CID 66169814) has the molecular formula C14H21F2NO4 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol
PubChem CID66169814
Molecular FormulaC14H21F2NO4
Molecular Weight305.32 g/mol
Exact Mass305.14
IUPAC Name3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol
SMILESCCOc1cc(CNCC(C)(O)CO)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO4/c1-3-20-12-6-10(4-5-11(12)21-13(15)16)7-17-8-14(2,19)9-18/h4-6,13,17-19H,3,7-9H2,1-2H3
InChIKeyQDKFEPXUDKCERX-UHFFFAOYSA-N
XLogP1.52
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656067
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426
2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol
CID 110902628
3-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 120509977
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111605227
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]butan-1-ol
CID 78997784
3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-2-methylpropane-1,2-diol
CID 66171300
1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
CID 63294117

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol (CID 66169814) is 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol is CCOc1cc(CNCC(C)(O)CO)ccc1OC(F)F.
What is the InChIKey of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol?
The InChIKey is QDKFEPXUDKCERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO4/c1-3-20-12-6-10(4-5-11(12)21-13(15)16)7-17-8-14(2,19)9-18/h4-6,13,17-19H,3,7-9H2,1-2H3.
What are the key properties of 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol?
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol has a molecular weight of 305.32 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).