6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol

C23H41NO2 — CID 12986246

IUPAC6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol
SMILESCCCCCC(O)(CCCCC)CCNCCCc1ccc(OC)cc1
InChIInChI=1S/C23H41NO2/c1-4-6-8-16-23(25,17-9-7-5-2)18-20-24-19-10-11-21-12-14-22(26-3)15-13-21/h12-15,24-25H,4-11,16-20H2,1-3H3
InChIKeyVXVHIMNKFDTOIA-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.50
Rot. Bonds16

About 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol

6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol (PubChem CID 12986246) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol.

Molecular Properties

Compound Name6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol
PubChem CID12986246
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol
SMILESCCCCCC(O)(CCCCC)CCNCCCc1ccc(OC)cc1
InChIInChI=1S/C23H41NO2/c1-4-6-8-16-23(25,17-9-7-5-2)18-20-24-19-10-11-21-12-14-22(26-3)15-13-21/h12-15,24-25H,4-11,16-20H2,1-3H3
InChIKeyVXVHIMNKFDTOIA-UHFFFAOYSA-N
XLogP5.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
CID 113410167
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
N-propyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528830
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
1-(6,6-dimethyloctyl)-4-methoxybenzene
CID 54371242
1-(3-butoxypropyl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
CID 111239295

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol?
The IUPAC name of 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol (CID 12986246) is 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol.
What is the SMILES notation for 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol?
The canonical SMILES for 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol is CCCCCC(O)(CCCCC)CCNCCCc1ccc(OC)cc1.
What is the InChIKey of 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol?
The InChIKey is VXVHIMNKFDTOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-4-6-8-16-23(25,17-9-7-5-2)18-20-24-19-10-11-21-12-14-22(26-3)15-13-21/h12-15,24-25H,4-11,16-20H2,1-3H3.
What are the key properties of 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol?
6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol has a molecular weight of 363.59 g/mol, XLogP of 5.50, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol is sourced from PubChem (CID 12986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).