N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine

C18H21F2NO3 — CID 60585103

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESFC(F)Oc1ccccc1CN(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C18H21F2NO3/c19-18(20)24-17-8-2-1-5-14(17)11-21(12-15-6-3-9-22-15)13-16-7-4-10-23-16/h1-3,5-6,8-9,16,18H,4,7,10-13H2
InChIKeyBWPMBVMHXXYCEF-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.06
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine

N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 60585103) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID60585103
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESFC(F)Oc1ccccc1CN(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C18H21F2NO3/c19-18(20)24-17-8-2-1-5-14(17)11-21(12-15-6-3-9-22-15)13-16-7-4-10-23-16/h1-3,5-6,8-9,16,18H,4,7,10-13H2
InChIKeyBWPMBVMHXXYCEF-UHFFFAOYSA-N
XLogP4.06
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
2-[[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78821365
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 129424339
2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 60585190
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129426025
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 47537063
N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
3-[[2-(difluoromethoxy)phenyl]methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87003192

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 60585103) is N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine is FC(F)Oc1ccccc1CN(Cc1ccco1)CC1CCCO1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is BWPMBVMHXXYCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c19-18(20)24-17-8-2-1-5-14(17)11-21(12-15-6-3-9-22-15)13-16-7-4-10-23-16/h1-3,5-6,8-9,16,18H,4,7,10-13H2.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 337.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 60585103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).