2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol

C16H27NO2 — CID 64804948

IUPAC2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
SMILESCC(C)c1ccc(OCCCCC(C)(N)CO)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)14-6-8-15(9-7-14)19-11-5-4-10-16(3,17)12-18/h6-9,13,18H,4-5,10-12,17H2,1-3H3
InChIKeyNHPSKRTWKCTEFK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.07
Rot. Bonds8

About 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol

2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol (PubChem CID 64804948) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
PubChem CID64804948
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
SMILESCC(C)c1ccc(OCCCCC(C)(N)CO)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)14-6-8-15(9-7-14)19-11-5-4-10-16(3,17)12-18/h6-9,13,18H,4-5,10-12,17H2,1-3H3
InChIKeyNHPSKRTWKCTEFK-UHFFFAOYSA-N
XLogP3.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.07
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-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
CID 64803067
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
2-amino-2-methyl-5-(4-methylsulfonylphenoxy)pentan-1-ol
CID 64807315
5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol
CID 102215310
(2S)-2-amino-2-methyl-4-(4-nonoxyphenyl)butan-1-ol
CID 132916636
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol (CID 64804948) is 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol is CC(C)c1ccc(OCCCCC(C)(N)CO)cc1.
What is the InChIKey of 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol?
The InChIKey is NHPSKRTWKCTEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)14-6-8-15(9-7-14)19-11-5-4-10-16(3,17)12-18/h6-9,13,18H,4-5,10-12,17H2,1-3H3.
What are the key properties of 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol?
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol is sourced from PubChem (CID 64804948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).