1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol

C15H25NO2 — CID 103631774

IUPAC1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
SMILESCCOc1ccc(CNCC(O)CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-18-15-7-5-13(6-8-15)10-16-11-14(17)9-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyVCOWJFVVGCSUCK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds8

About 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol

1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol (PubChem CID 103631774) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
PubChem CID103631774
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
SMILESCCOc1ccc(CNCC(O)CC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-18-15-7-5-13(6-8-15)10-16-11-14(17)9-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyVCOWJFVVGCSUCK-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

N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43096585
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
3-[4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850377
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 115240669
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol (CID 103631774) is 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol is CCOc1ccc(CNCC(O)CC(C)C)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol?
The InChIKey is VCOWJFVVGCSUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-18-15-7-5-13(6-8-15)10-16-11-14(17)9-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol?
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-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 1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 103631774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).