4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol

C16H27NO3 — CID 103784224

IUPAC4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CCOC)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO3/c1-5-15(13-6-8-14(20-4)9-7-13)17-12-16(2,18)10-11-19-3/h6-9,15,17-18H,5,10-12H2,1-4H3
InChIKeySJGHHEWFFNNMFO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.52
Rot. Bonds9

About 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol

4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol (PubChem CID 103784224) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
PubChem CID103784224
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CCOC)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO3/c1-5-15(13-6-8-14(20-4)9-7-13)17-12-16(2,18)10-11-19-3/h6-9,15,17-18H,5,10-12H2,1-4H3
InChIKeySJGHHEWFFNNMFO-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103948352
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 115711958
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol (CID 103784224) is 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol is CCC(NCC(C)(O)CCOC)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
The InChIKey is SJGHHEWFFNNMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-15(13-6-8-14(20-4)9-7-13)17-12-16(2,18)10-11-19-3/h6-9,15,17-18H,5,10-12H2,1-4H3.
What are the key properties of 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol?
4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 103784224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).