3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol

C16H27NO2 — CID 63692501

IUPAC3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCCOCCN(CC)CCC(O)c1ccccc1C
InChIInChI=1S/C16H27NO2/c1-4-17(12-13-19-5-2)11-10-16(18)15-9-7-6-8-14(15)3/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyFIXKPZVNBQFQSP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds9

About 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 63692501) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID63692501
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCCOCCN(CC)CCC(O)c1ccccc1C
InChIInChI=1S/C16H27NO2/c1-4-17(12-13-19-5-2)11-10-16(18)15-9-7-6-8-14(15)3/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyFIXKPZVNBQFQSP-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 63692314
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62622938
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
CID 62624022
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 107487245
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 63692501) is 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol is CCOCCN(CC)CCC(O)c1ccccc1C.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is FIXKPZVNBQFQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17(12-13-19-5-2)11-10-16(18)15-9-7-6-8-14(15)3/h6-9,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 63692501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).