2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol

C15H25NO2 — CID 64802030

IUPAC2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
SMILESCC(C)c1cccc(OCCCC(C)(N)CO)c1
InChIInChI=1S/C15H25NO2/c1-12(2)13-6-4-7-14(10-13)18-9-5-8-15(3,16)11-17/h4,6-7,10,12,17H,5,8-9,11,16H2,1-3H3
InChIKeyXWMAZZRWDAZAPT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds7

About 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol

2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 64802030) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
PubChem CID64802030
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
SMILESCC(C)c1cccc(OCCCC(C)(N)CO)c1
InChIInChI=1S/C15H25NO2/c1-12(2)13-6-4-7-14(10-13)18-9-5-8-15(3,16)11-17/h4,6-7,10,12,17H,5,8-9,11,16H2,1-3H3
InChIKeyXWMAZZRWDAZAPT-UHFFFAOYSA-N
XLogP2.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.68
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-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol (CID 64802030) is 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol is CC(C)c1cccc(OCCCC(C)(N)CO)c1.
What is the InChIKey of 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is XWMAZZRWDAZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)13-6-4-7-14(10-13)18-9-5-8-15(3,16)11-17/h4,6-7,10,12,17H,5,8-9,11,16H2,1-3H3.
What are the key properties of 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol?
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 64802030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).