1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol

C16H27NO4 — CID 63929615

IUPAC1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(CNC(C)(C)C)cccc1OC
InChIInChI=1S/C16H27NO4/c1-16(2,3)17-9-12-7-6-8-14(20-5)15(12)21-11-13(18)10-19-4/h6-8,13,17-18H,9-11H2,1-5H3
InChIKeyBIQYGRYDQJNDFO-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.97
Rot. Bonds8

About 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol

1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol (PubChem CID 63929615) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
PubChem CID63929615
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(CNC(C)(C)C)cccc1OC
InChIInChI=1S/C16H27NO4/c1-16(2,3)17-9-12-7-6-8-14(20-5)15(12)21-11-13(18)10-19-4/h6-8,13,17-18H,9-11H2,1-5H3
InChIKeyBIQYGRYDQJNDFO-UHFFFAOYSA-N
XLogP1.97
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol 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

1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol (CID 63929615) is 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol is COCC(O)COc1c(CNC(C)(C)C)cccc1OC.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
The InChIKey is BIQYGRYDQJNDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-16(2,3)17-9-12-7-6-8-14(20-5)15(12)21-11-13(18)10-19-4/h6-8,13,17-18H,9-11H2,1-5H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 63929615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).