1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol

C19H32N2O3 — CID 45208012

IUPAC1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COc1cc(CNC2CCC2)ccc1OC
InChIInChI=1S/C19H32N2O3/c1-4-21(5-2)13-17(22)14-24-19-11-15(9-10-18(19)23-3)12-20-16-7-6-8-16/h9-11,16-17,20,22H,4-8,12-14H2,1-3H3
InChIKeyJOBOZZJWMLVJBF-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.42
Rot. Bonds11

About 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol

1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol (PubChem CID 45208012) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol
PubChem CID45208012
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COc1cc(CNC2CCC2)ccc1OC
InChIInChI=1S/C19H32N2O3/c1-4-21(5-2)13-17(22)14-24-19-11-15(9-10-18(19)23-3)12-20-16-7-6-8-16/h9-11,16-17,20,22H,4-8,12-14H2,1-3H3
InChIKeyJOBOZZJWMLVJBF-UHFFFAOYSA-N
XLogP2.42
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
CID 42381664
(2R)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282788
(2S)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282784
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42191908
(2S)-1-(diethylamino)-3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 25482880
(2S)-1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 42376551
1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45240353
1-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45248809
(2S)-1-(diethylamino)-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylamino]methyl]phenoxy]propan-2-ol
CID 42528238
1-(azocan-1-yl)-3-[2-methoxy-5-[[(1-propylpiperidin-4-yl)amino]methyl]phenoxy]propan-2-ol
CID 45247292
1-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 97276288
1-[[[4-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 26402035

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol (CID 45208012) is 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)COc1cc(CNC2CCC2)ccc1OC.
What is the InChIKey of 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol?
The InChIKey is JOBOZZJWMLVJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-4-21(5-2)13-17(22)14-24-19-11-15(9-10-18(19)23-3)12-20-16-7-6-8-16/h9-11,16-17,20,22H,4-8,12-14H2,1-3H3.
What are the key properties of 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol?
1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 2.42, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 45208012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).