4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol

C16H27NO3 — CID 103785549

IUPAC4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
SMILESCCCOc1ccc(C(C)NC(CCO)COC)cc1
InChIInChI=1S/C16H27NO3/c1-4-11-20-16-7-5-14(6-8-16)13(2)17-15(9-10-18)12-19-3/h5-8,13,15,17-18H,4,9-12H2,1-3H3
InChIKeyCWAHNHKATDQWRW-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.52
Rot. Bonds10

About 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol

4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol (PubChem CID 103785549) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
PubChem CID103785549
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
SMILESCCCOc1ccc(C(C)NC(CCO)COC)cc1
InChIInChI=1S/C16H27NO3/c1-4-11-20-16-7-5-14(6-8-16)13(2)17-15(9-10-18)12-19-3/h5-8,13,15,17-18H,4,9-12H2,1-3H3
InChIKeyCWAHNHKATDQWRW-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
CID 82710446

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol (CID 103785549) is 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol is CCCOc1ccc(C(C)NC(CCO)COC)cc1.
What is the InChIKey of 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
The InChIKey is CWAHNHKATDQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-11-20-16-7-5-14(6-8-16)13(2)17-15(9-10-18)12-19-3/h5-8,13,15,17-18H,4,9-12H2,1-3H3.
What are the key properties of 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol?
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 103785549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).