2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol

C18H31NO2 — CID 64805620

IUPAC2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
SMILESCc1ccc(C)c(OCCCC(C)(CO)NC(C)C)c1C
InChIInChI=1S/C18H31NO2/c1-13(2)19-18(6,12-20)10-7-11-21-17-15(4)9-8-14(3)16(17)5/h8-9,13,19-20H,7,10-12H2,1-6H3
InChIKeyMJXRTFBRMXGKSV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.52
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol

2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol (PubChem CID 64805620) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
PubChem CID64805620
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
SMILESCc1ccc(C)c(OCCCC(C)(CO)NC(C)C)c1C
InChIInChI=1S/C18H31NO2/c1-13(2)19-18(6,12-20)10-7-11-21-17-15(4)9-8-14(3)16(17)5/h8-9,13,19-20H,7,10-12H2,1-6H3
InChIKeyMJXRTFBRMXGKSV-UHFFFAOYSA-N
XLogP3.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.52
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-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64807692
2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
CID 64809345
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
1-amino-2-methyl-5-(2,3,6-trimethylphenoxy)pentan-2-ol
CID 64813384
2,2-dimethyl-5-(2,3,6-trimethylphenoxy)pentanethioamide
CID 65257231
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
CID 64808543
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
N-tert-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine
CID 62485325
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol (CID 64805620) is 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol is Cc1ccc(C)c(OCCCC(C)(CO)NC(C)C)c1C.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
The InChIKey is MJXRTFBRMXGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(2)19-18(6,12-20)10-7-11-21-17-15(4)9-8-14(3)16(17)5/h8-9,13,19-20H,7,10-12H2,1-6H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol?
2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol is sourced from PubChem (CID 64805620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).