2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol

C16H27NO3 — CID 82313839

IUPAC2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol
SMILESCOCCNC(C(C)C)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO3/c1-11(2)15(17-8-9-19-4)16(18)13-6-7-14(20-5)12(3)10-13/h6-7,10-11,15-18H,8-9H2,1-5H3
InChIKeyUHKFUFXEJFEDSZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.30
Rot. Bonds8

About 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol

2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol (PubChem CID 82313839) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol
PubChem CID82313839
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol
SMILESCOCCNC(C(C)C)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO3/c1-11(2)15(17-8-9-19-4)16(18)13-6-7-14(20-5)12(3)10-13/h6-7,10-11,15-18H,8-9H2,1-5H3
InChIKeyUHKFUFXEJFEDSZ-UHFFFAOYSA-N
XLogP2.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.30
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-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799
2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313794
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 66338003
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol (CID 82313839) is 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol is COCCNC(C(C)C)C(O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is UHKFUFXEJFEDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11(2)15(17-8-9-19-4)16(18)13-6-7-14(20-5)12(3)10-13/h6-7,10-11,15-18H,8-9H2,1-5H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol?
2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82313839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).