4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol

C14H23NO3 — CID 115217746

IUPAC4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
SMILESCOc1ccc(OC)c(CCNCCCCO)c1
InChIInChI=1S/C14H23NO3/c1-17-13-5-6-14(18-2)12(11-13)7-9-15-8-3-4-10-16/h5-6,11,15-16H,3-4,7-10H2,1-2H3
InChIKeySIVDVFWWYFHWBN-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.61
Rot. Bonds9

About 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol

4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol (PubChem CID 115217746) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
PubChem CID115217746
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
SMILESCOc1ccc(OC)c(CCNCCCCO)c1
InChIInChI=1S/C14H23NO3/c1-17-13-5-6-14(18-2)12(11-13)7-9-15-8-3-4-10-16/h5-6,11,15-16H,3-4,7-10H2,1-2H3
InChIKeySIVDVFWWYFHWBN-UHFFFAOYSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.61
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

5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
3-[2-(2,4-dimethoxyphenyl)ethylamino]propane-1-thiol
CID 115225109
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol (CID 115217746) is 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol is COc1ccc(OC)c(CCNCCCCO)c1.
What is the InChIKey of 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol?
The InChIKey is SIVDVFWWYFHWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-13-5-6-14(18-2)12(11-13)7-9-15-8-3-4-10-16/h5-6,11,15-16H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol?
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).