4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol

C15H25NO2 — CID 82981678

IUPAC4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
SMILESCOCC(C)N(C)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H25NO2/c1-12(16(3)13(2)11-18-4)5-6-14-7-9-15(17)10-8-14/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyYWOIRWBYVDAENO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds7

About 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol

4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol (PubChem CID 82981678) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
PubChem CID82981678
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
SMILESCOCC(C)N(C)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H25NO2/c1-12(16(3)13(2)11-18-4)5-6-14-7-9-15(17)10-8-14/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyYWOIRWBYVDAENO-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
CID 82982525
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
4-(3-methylpentyl)phenol
CID 57225129
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-(3,5-dimethyloctyl)phenol
CID 174906830
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
CID 115317129
4-[2-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]ethyl]benzene-1,2-diol
CID 143733640
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
4-[2-[methoxymethyl(methyl)amino]ethyl]phenol
CID 91622025
2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 65059878

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol?
The IUPAC name of 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol (CID 82981678) is 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol is COCC(C)N(C)C(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol?
The InChIKey is YWOIRWBYVDAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(16(3)13(2)11-18-4)5-6-14-7-9-15(17)10-8-14/h7-10,12-13,17H,5-6,11H2,1-4H3.
What are the key properties of 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol?
4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol is sourced from PubChem (CID 82981678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).