1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol

C17H29NO3 — CID 60901639

IUPAC1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO3/c1-4-5-6-20-7-8-21-13-17(19)12-18-16-10-14(2)9-15(3)11-16/h9-11,17-19H,4-8,12-13H2,1-3H3
InChIKeyYLDRZIVTXBQTDF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.91
Rot. Bonds11

About 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol

1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol (PubChem CID 60901639) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
PubChem CID60901639
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO3/c1-4-5-6-20-7-8-21-13-17(19)12-18-16-10-14(2)9-15(3)11-16/h9-11,17-19H,4-8,12-13H2,1-3H3
InChIKeyYLDRZIVTXBQTDF-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-(4-bromo-3-methylanilino)-3-butoxypropan-2-ol
CID 107262463
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(4-bromo-2,6-dimethylanilino)-3-butoxypropan-2-ol
CID 107262525
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(3-fluoro-5-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 79055009
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
1-(2-butoxyethoxy)-3-(3-ethynylanilino)propan-2-ol
CID 60902499
1-butoxybutane;propan-2-ol;1,3,5-trimethylbenzene
CID 67628315

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol (CID 60901639) is 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol is CCCCOCCOCC(O)CNc1cc(C)cc(C)c1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
The InChIKey is YLDRZIVTXBQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-5-6-20-7-8-21-13-17(19)12-18-16-10-14(2)9-15(3)11-16/h9-11,17-19H,4-8,12-13H2,1-3H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol is sourced from PubChem (CID 60901639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).