1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol

C17H29NO3 — CID 107262387

IUPAC1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol
SMILESCCCCOCC(O)COc1c(C)cccc1CNCC
InChIInChI=1S/C17H29NO3/c1-4-6-10-20-12-16(19)13-21-17-14(3)8-7-9-15(17)11-18-5-2/h7-9,16,18-19H,4-6,10-13H2,1-3H3
InChIKeyFGYNSMXZHAMQCP-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.66
Rot. Bonds11

About 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol

1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol (PubChem CID 107262387) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol
PubChem CID107262387
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol
SMILESCCCCOCC(O)COc1c(C)cccc1CNCC
InChIInChI=1S/C17H29NO3/c1-4-6-10-20-12-16(19)13-21-17-14(3)8-7-9-15(17)11-18-5-2/h7-9,16,18-19H,4-6,10-13H2,1-3H3
InChIKeyFGYNSMXZHAMQCP-UHFFFAOYSA-N
XLogP2.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[2-(ethylaminomethyl)-6-fluorophenoxy]propan-2-ol
CID 107262389
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
CID 112609238
1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
CID 60633323
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol?
The IUPAC name of 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol (CID 107262387) is 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol is CCCCOCC(O)COc1c(C)cccc1CNCC.
What is the InChIKey of 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol?
The InChIKey is FGYNSMXZHAMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-6-10-20-12-16(19)13-21-17-14(3)8-7-9-15(17)11-18-5-2/h7-9,16,18-19H,4-6,10-13H2,1-3H3.
What are the key properties of 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol?
1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol is sourced from PubChem (CID 107262387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).