4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol

C16H27NO2 — CID 63326937

IUPAC4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
SMILESCc1ccc(OCCCCO)c(CNC(C)(C)C)c1
InChIInChI=1S/C16H27NO2/c1-13-7-8-15(19-10-6-5-9-18)14(11-13)12-17-16(2,3)4/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3
InChIKeyVFYWUTFFVGKGSK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds7

About 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol

4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol (PubChem CID 63326937) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
PubChem CID63326937
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
SMILESCc1ccc(OCCCCO)c(CNC(C)(C)C)c1
InChIInChI=1S/C16H27NO2/c1-13-7-8-15(19-10-6-5-9-18)14(11-13)12-17-16(2,3)4/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3
InChIKeyVFYWUTFFVGKGSK-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702576
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
methyl 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butanoate
CID 63326685
2-methyl-N-[[5-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]propan-2-amine
CID 113473409
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
CID 63326862
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol
CID 114492105
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-1-ol
CID 114266691
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
N-[[2-(2-ethylbutoxy)-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 82925961
2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326599
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 82867095

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol?
The IUPAC name of 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol (CID 63326937) is 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol.
What is the SMILES notation for 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol?
The canonical SMILES for 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol is Cc1ccc(OCCCCO)c(CNC(C)(C)C)c1.
What is the InChIKey of 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol?
The InChIKey is VFYWUTFFVGKGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13-7-8-15(19-10-6-5-9-18)14(11-13)12-17-16(2,3)4/h7-8,11,17-18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol?
4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol is sourced from PubChem (CID 63326937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).