4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol

C15H23Cl2NO2 — CID 63057974

IUPAC4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
SMILESCC(C)(C)NCc1cc(Cl)cc(Cl)c1OCCCCO
InChIInChI=1S/C15H23Cl2NO2/c1-15(2,3)18-10-11-8-12(16)9-13(17)14(11)20-7-5-4-6-19/h8-9,18-19H,4-7,10H2,1-3H3
InChIKeyWNSLSNOGMNWRLC-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.03
Rot. Bonds7

About 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol

4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol (PubChem CID 63057974) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
PubChem CID63057974
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
SMILESCC(C)(C)NCc1cc(Cl)cc(Cl)c1OCCCCO
InChIInChI=1S/C15H23Cl2NO2/c1-15(2,3)18-10-11-8-12(16)9-13(17)14(11)20-7-5-4-6-19/h8-9,18-19H,4-7,10H2,1-3H3
InChIKeyWNSLSNOGMNWRLC-UHFFFAOYSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.03
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

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323
5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 62227671
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
5-(2,4,6-trichlorophenoxy)pentan-1-ol
CID 62229545
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
CID 6473566
ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
CID 63057969
N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665060
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
CID 63057958
4-[2,6-dibromo-4-[(tert-butylamino)methyl]phenoxy]butan-1-ol
CID 107743612
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058152

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol?
The IUPAC name of 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol (CID 63057974) is 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol.
What is the SMILES notation for 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol?
The canonical SMILES for 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol is CC(C)(C)NCc1cc(Cl)cc(Cl)c1OCCCCO.
What is the InChIKey of 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol?
The InChIKey is WNSLSNOGMNWRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-15(2,3)18-10-11-8-12(16)9-13(17)14(11)20-7-5-4-6-19/h8-9,18-19H,4-7,10H2,1-3H3.
What are the key properties of 4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol?
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol has a molecular weight of 320.26 g/mol, XLogP of 4.03, 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]-4,6-dichlorophenoxy]butan-1-ol is sourced from PubChem (CID 63057974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).