6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C18H31NO2 — CID 64804740

IUPAC6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCc1ccc(OCCCCC(C)(CO)NC(C)C)c(C)c1
InChIInChI=1S/C18H31NO2/c1-14(2)19-18(5,13-20)10-6-7-11-21-17-9-8-15(3)12-16(17)4/h8-9,12,14,19-20H,6-7,10-11,13H2,1-5H3
InChIKeyBIMZNRYCBGZANR-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.60
Rot. Bonds9

About 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64804740) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64804740
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCc1ccc(OCCCCC(C)(CO)NC(C)C)c(C)c1
InChIInChI=1S/C18H31NO2/c1-14(2)19-18(5,13-20)10-6-7-11-21-17-9-8-15(3)12-16(17)4/h8-9,12,14,19-20H,6-7,10-11,13H2,1-5H3
InChIKeyBIMZNRYCBGZANR-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.60
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

5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810357
2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
CID 64809345
6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64809744
2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64805620
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
CID 64803684
2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 64803488
5-(2,4-dimethylphenoxy)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810447
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64804740) is 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is Cc1ccc(OCCCCC(C)(CO)NC(C)C)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is BIMZNRYCBGZANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)19-18(5,13-20)10-6-7-11-21-17-9-8-15(3)12-16(17)4/h8-9,12,14,19-20H,6-7,10-11,13H2,1-5H3.
What are the key properties of 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64804740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).