3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol

C17H29NO2 — CID 20619609

IUPAC3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol
SMILESCC(C)(C)c1cccc(OCCCCNCCCO)c1
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-8-6-9-16(14-15)20-13-5-4-10-18-11-7-12-19/h6,8-9,14,18-19H,4-5,7,10-13H2,1-3H3
InChIKeyFAVGVJICLHWWIU-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.12
Rot. Bonds9

About 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol

3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol (PubChem CID 20619609) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol
PubChem CID20619609
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol
SMILESCC(C)(C)c1cccc(OCCCCNCCCO)c1
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-8-6-9-16(14-15)20-13-5-4-10-18-11-7-12-19/h6,8-9,14,18-19H,4-5,7,10-13H2,1-3H3
InChIKeyFAVGVJICLHWWIU-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.12
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-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
3-[4-(butylamino)butoxy]benzoic acid
CID 71156686
5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689
6-(3-tert-butylphenoxy)-2,2-dimethylhexanenitrile
CID 106710429
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol?
The IUPAC name of 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol (CID 20619609) is 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol.
What is the SMILES notation for 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol?
The canonical SMILES for 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol is CC(C)(C)c1cccc(OCCCCNCCCO)c1.
What is the InChIKey of 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol?
The InChIKey is FAVGVJICLHWWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-17(2,3)15-8-6-9-16(14-15)20-13-5-4-10-18-11-7-12-19/h6,8-9,14,18-19H,4-5,7,10-13H2,1-3H3.
What are the key properties of 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol?
3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol is sourced from PubChem (CID 20619609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).