3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol

C17H27NO3 — CID 111469000

IUPAC3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
SMILESCC(C)(CCO)NCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H27NO3/c1-17(2,9-10-19)18-12-14-5-7-15(8-6-14)21-13-16-4-3-11-20-16/h5-8,16,18-19H,3-4,9-13H2,1-2H3
InChIKeyKFEWDGYNRWTLKC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.49
Rot. Bonds8

About 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol

3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol (PubChem CID 111469000) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
PubChem CID111469000
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
SMILESCC(C)(CCO)NCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H27NO3/c1-17(2,9-10-19)18-12-14-5-7-15(8-6-14)21-13-16-4-3-11-20-16/h5-8,16,18-19H,3-4,9-13H2,1-2H3
InChIKeyKFEWDGYNRWTLKC-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
CID 47070193
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
CID 111422052
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
2,4,5-trichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 46736222
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799559
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
2,5-dichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 54798356
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
CID 110006486

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol (CID 111469000) is 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol is CC(C)(CCO)NCc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
The InChIKey is KFEWDGYNRWTLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,9-10-19)18-12-14-5-7-15(8-6-14)21-13-16-4-3-11-20-16/h5-8,16,18-19H,3-4,9-13H2,1-2H3.
What are the key properties of 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 111469000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).