4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol

C13H21NO2 — CID 106261294

IUPAC4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
SMILESCOc1ccccc1CCNCCC(C)O
InChIInChI=1S/C13H21NO2/c1-11(15)7-9-14-10-8-12-5-3-4-6-13(12)16-2/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyLIAQHSGDCYEGEI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds7

About 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol

4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol (PubChem CID 106261294) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
PubChem CID106261294
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
SMILESCOc1ccccc1CCNCCC(C)O
InChIInChI=1S/C13H21NO2/c1-11(15)7-9-14-10-8-12-5-3-4-6-13(12)16-2/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyLIAQHSGDCYEGEI-UHFFFAOYSA-N
XLogP1.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
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-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
CID 154511007
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978581
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol?
The IUPAC name of 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol (CID 106261294) is 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol is COc1ccccc1CCNCCC(C)O.
What is the InChIKey of 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol?
The InChIKey is LIAQHSGDCYEGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(15)7-9-14-10-8-12-5-3-4-6-13(12)16-2/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol?
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 106261294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).