2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol

C16H27NO2 — CID 64810580

IUPAC2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
SMILESCCNC(CO)CCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H27NO2/c1-5-17-15(11-18)8-9-19-16-10-14(12(2)3)7-6-13(16)4/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyPMZDNVNYRAKEBB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds8

About 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol

2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol (PubChem CID 64810580) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
PubChem CID64810580
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
SMILESCCNC(CO)CCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H27NO2/c1-5-17-15(11-18)8-9-19-16-10-14(12(2)3)7-6-13(16)4/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyPMZDNVNYRAKEBB-UHFFFAOYSA-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

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Related Compounds

1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(methylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 55145298
2,2-bis[(2-methyl-5-propan-2-ylphenoxy)methyl]propane-1,3-diol
CID 24843314
4-(2-methyl-5-propan-2-ylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63029815
N-butan-2-yl-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-amine;oxalic acid
CID 2934388
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol (CID 64810580) is 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol is CCNC(CO)CCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
The InChIKey is PMZDNVNYRAKEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-17-15(11-18)8-9-19-16-10-14(12(2)3)7-6-13(16)4/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol?
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-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 2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol is sourced from PubChem (CID 64810580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).