[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol

C19H23NO3 — CID 110006486

IUPAC[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C19H23NO3/c21-13-16-8-6-15(7-9-16)12-20-17-3-1-4-18(11-17)23-14-19-5-2-10-22-19/h1,3-4,6-9,11,19-21H,2,5,10,12-14H2
InChIKeyNLKZBSUDVNWNMB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.35
Rot. Bonds7

About [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol

[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol (PubChem CID 110006486) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
PubChem CID110006486
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C19H23NO3/c21-13-16-8-6-15(7-9-16)12-20-17-3-1-4-18(11-17)23-14-19-5-2-10-22-19/h1,3-4,6-9,11,19-21H,2,5,10,12-14H2
InChIKeyNLKZBSUDVNWNMB-UHFFFAOYSA-N
XLogP3.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[(2-butoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802241
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 126790892
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol (CID 110006486) is [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol is OCc1ccc(CNc2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol?
The InChIKey is NLKZBSUDVNWNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-13-16-8-6-15(7-9-16)12-20-17-3-1-4-18(11-17)23-14-19-5-2-10-22-19/h1,3-4,6-9,11,19-21H,2,5,10,12-14H2.
What are the key properties of [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol?
[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol has a molecular weight of 313.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).