1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol

C16H27NO3 — CID 60883043

IUPAC1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
SMILESCCCNC(C)c1ccc(OCC(O)CC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-9-17-12(3)13-7-8-15(16(10-13)19-4)20-11-14(18)6-2/h7-8,10,12,14,17-18H,5-6,9,11H2,1-4H3
InChIKeyQDQSGWMCIOWNRJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds9

About 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol

1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol (PubChem CID 60883043) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
PubChem CID60883043
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
SMILESCCCNC(C)c1ccc(OCC(O)CC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-9-17-12(3)13-7-8-15(16(10-13)19-4)20-11-14(18)6-2/h7-8,10,12,14,17-18H,5-6,9,11H2,1-4H3
InChIKeyQDQSGWMCIOWNRJ-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
CID 43279496
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 113389754
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102977990
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
CID 63928817
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
The IUPAC name of 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol (CID 60883043) is 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol is CCCNC(C)c1ccc(OCC(O)CC)c(OC)c1.
What is the InChIKey of 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
The InChIKey is QDQSGWMCIOWNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-9-17-12(3)13-7-8-15(16(10-13)19-4)20-11-14(18)6-2/h7-8,10,12,14,17-18H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 60883043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).