(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol

C16H27NO2 — CID 7375831

IUPAC(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
SMILESCc1cc(OCCCNC[C@H](C)O)cc(C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-12(2)15-8-13(3)9-16(10-15)19-7-5-6-17-11-14(4)18/h8-10,12,14,17-18H,5-7,11H2,1-4H3/t14-/m0/s1
InChIKeyHZLFDIZQBPWQGL-AWEZNQCLSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds8

About (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol

(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol (PubChem CID 7375831) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
PubChem CID7375831
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
SMILESCc1cc(OCCCNC[C@H](C)O)cc(C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-12(2)15-8-13(3)9-16(10-15)19-7-5-6-17-11-14(4)18/h8-10,12,14,17-18H,5-7,11H2,1-4H3/t14-/m0/s1
InChIKeyHZLFDIZQBPWQGL-AWEZNQCLSA-N
XLogP2.86
TPSA41.49 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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol with MolForge

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Related Compounds

1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
CID 2978151
N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
CID 2296857
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
CID 62597906
3,3-dimethyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63515562
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 63515727
5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63515560
N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine
CID 2581106
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
CID 2977000
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
CID 110834191
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-[3-(3,5-dimethylphenoxy)propylamino]propanoic acid
CID 43466285

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol?
The IUPAC name of (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol (CID 7375831) is (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol is Cc1cc(OCCCNC[C@H](C)O)cc(C(C)C)c1.
What is the InChIKey of (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol?
The InChIKey is HZLFDIZQBPWQGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)15-8-13(3)9-16(10-15)19-7-5-6-17-11-14(4)18/h8-10,12,14,17-18H,5-7,11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol?
(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol is sourced from PubChem (CID 7375831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).