4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol

C15H25NO2 — CID 64913817

IUPAC4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
SMILESCCCOc1ccc(C(C)NCCC(C)O)cc1
InChIInChI=1S/C15H25NO2/c1-4-11-18-15-7-5-14(6-8-15)13(3)16-10-9-12(2)17/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyJJVKMHIQRSMXCE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds8

About 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol

4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol (PubChem CID 64913817) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
PubChem CID64913817
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
SMILESCCCOc1ccc(C(C)NCCC(C)O)cc1
InChIInChI=1S/C15H25NO2/c1-4-11-18-15-7-5-14(6-8-15)13(3)16-10-9-12(2)17/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyJJVKMHIQRSMXCE-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea
CID 83112296
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid
CID 40643732
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 80685309
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol (CID 64913817) is 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol is CCCOc1ccc(C(C)NCCC(C)O)cc1.
What is the InChIKey of 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol?
The InChIKey is JJVKMHIQRSMXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-11-18-15-7-5-14(6-8-15)13(3)16-10-9-12(2)17/h5-8,12-13,16-17H,4,9-11H2,1-3H3.
What are the key properties of 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol?
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 64913817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).