1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol

C16H27NO2 — CID 107263166

IUPAC1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
SMILESCCCCOCC(O)CNCc1ccc(CC)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-10-19-13-16(18)12-17-11-15-8-6-14(4-2)7-9-15/h6-9,16-18H,3-5,10-13H2,1-2H3
InChIKeyTWZJQYSOXUGEPS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.52
Rot. Bonds10

About 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol

1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol (PubChem CID 107263166) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
PubChem CID107263166
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
SMILESCCCCOCC(O)CNCc1ccc(CC)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-10-19-13-16(18)12-17-11-15-8-6-14(4-2)7-9-15/h6-9,16-18H,3-5,10-13H2,1-2H3
InChIKeyTWZJQYSOXUGEPS-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-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-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 107262771
1-(1,3-benzodioxol-5-ylmethylamino)-3-butoxypropan-2-ol
CID 107262785
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
4-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]phenol
CID 114331765
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol (CID 107263166) is 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol is CCCCOCC(O)CNCc1ccc(CC)cc1.
What is the InChIKey of 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol?
The InChIKey is TWZJQYSOXUGEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-10-19-13-16(18)12-17-11-15-8-6-14(4-2)7-9-15/h6-9,16-18H,3-5,10-13H2,1-2H3.
What are the key properties of 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol?
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 107263166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).