3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol

C15H25NO2 — CID 111469199

IUPAC3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCCOc1cccc(CNC(CCO)C(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-18-14-7-5-6-13(10-14)11-16-15(8-9-17)12(2)3/h5-7,10,12,15-17H,4,8-9,11H2,1-3H3
InChIKeyWGOKGTJHYRZNFS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds8

About 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol

3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol (PubChem CID 111469199) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
PubChem CID111469199
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCCOc1cccc(CNC(CCO)C(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-18-14-7-5-6-13(10-14)11-16-15(8-9-17)12(2)3/h5-7,10,12,15-17H,4,8-9,11H2,1-3H3
InChIKeyWGOKGTJHYRZNFS-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706023
3-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzoic acid
CID 106350971
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol (CID 111469199) is 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol is CCOc1cccc(CNC(CCO)C(C)C)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The InChIKey is WGOKGTJHYRZNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-18-14-7-5-6-13(10-14)11-16-15(8-9-17)12(2)3/h5-7,10,12,15-17H,4,8-9,11H2,1-3H3.
What are the key properties of 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol?
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 111469199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).