2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol

C17H29NO2 — CID 64807091

IUPAC2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-16(2,3)14-8-7-9-15(12-14)20-11-6-5-10-17(4,18)13-19/h7-9,12,19H,5-6,10-11,13,18H2,1-4H3
InChIKeyTUMJAACNVOHACM-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.24
Rot. Bonds7

About 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol

2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol (PubChem CID 64807091) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
PubChem CID64807091
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-16(2,3)14-8-7-9-15(12-14)20-11-6-5-10-17(4,18)13-19/h7-9,12,19H,5-6,10-11,13,18H2,1-4H3
InChIKeyTUMJAACNVOHACM-UHFFFAOYSA-N
XLogP3.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.24
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

2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
6-(3-tert-butylphenoxy)-2,2-dimethylhexanenitrile
CID 106710429
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol
CID 20619609
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol (CID 64807091) is 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol is CC(N)(CO)CCCCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol?
The InChIKey is TUMJAACNVOHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)14-8-7-9-15(12-14)20-11-6-5-10-17(4,18)13-19/h7-9,12,19H,5-6,10-11,13,18H2,1-4H3.
What are the key properties of 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol?
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol is sourced from PubChem (CID 64807091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).