1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

C16H25NO3 — CID 111488960

IUPAC1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)CN(C)C1CCC1
InChIInChI=1S/C16H25NO3/c1-17(14-7-5-8-14)10-15(18)12-20-11-13-6-3-4-9-16(13)19-2/h3-4,6,9,14-15,18H,5,7-8,10-12H2,1-2H3
InChIKeyFOQLWPGUVAWNCV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.06
Rot. Bonds8

About 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 111488960) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
PubChem CID111488960
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)CN(C)C1CCC1
InChIInChI=1S/C16H25NO3/c1-17(14-7-5-8-14)10-15(18)12-20-11-13-6-3-4-9-16(13)19-2/h3-4,6,9,14-15,18H,5,7-8,10-12H2,1-2H3
InChIKeyFOQLWPGUVAWNCV-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 3416277
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
CID 100848872
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
(2S)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 124816258
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 55571032
1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45200049
1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 74626402
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 110017824
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 129420010

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (CID 111488960) is 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is COc1ccccc1COCC(O)CN(C)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is FOQLWPGUVAWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17(14-7-5-8-14)10-15(18)12-20-11-13-6-3-4-9-16(13)19-2/h3-4,6,9,14-15,18H,5,7-8,10-12H2,1-2H3.
What are the key properties of 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 111488960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).