2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol

C16H27NO3 — CID 92921241

IUPAC2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
SMILESCCCCCOc1ccc(CNCCO)cc1OCC
InChIInChI=1S/C16H27NO3/c1-3-5-6-11-20-15-8-7-14(13-17-9-10-18)12-16(15)19-4-2/h7-8,12,17-18H,3-6,9-11,13H2,1-2H3
InChIKeyCBUDKWWKSKWHQD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.74
Rot. Bonds11

About 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol

2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol (PubChem CID 92921241) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
PubChem CID92921241
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
SMILESCCCCCOc1ccc(CNCCO)cc1OCC
InChIInChI=1S/C16H27NO3/c1-3-5-6-11-20-15-8-7-14(13-17-9-10-18)12-16(15)19-4-2/h7-8,12,17-18H,3-6,9-11,13H2,1-2H3
InChIKeyCBUDKWWKSKWHQD-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.74
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

2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
CID 39291383
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[(4-butoxy-3-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 19590756
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol (CID 92921241) is 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol is CCCCCOc1ccc(CNCCO)cc1OCC.
What is the InChIKey of 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol?
The InChIKey is CBUDKWWKSKWHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-5-6-11-20-15-8-7-14(13-17-9-10-18)12-16(15)19-4-2/h7-8,12,17-18H,3-6,9-11,13H2,1-2H3.
What are the key properties of 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol?
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 92921241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).