3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol

C18H29NO2 — CID 64805124

IUPAC3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
SMILESCCc1ccc(OCC(CO)NC2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-5-13-6-9-17(16(10-13)18(2,3)4)21-12-15(11-20)19-14-7-8-14/h6,9-10,14-15,19-20H,5,7-8,11-12H2,1-4H3
InChIKeyVLUPBHREPOGRBY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.04
Rot. Bonds7

About 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol

3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol (PubChem CID 64805124) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
PubChem CID64805124
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
SMILESCCc1ccc(OCC(CO)NC2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-5-13-6-9-17(16(10-13)18(2,3)4)21-12-15(11-20)19-14-7-8-14/h6,9-10,14-15,19-20H,5,7-8,11-12H2,1-4H3
InChIKeyVLUPBHREPOGRBY-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
CID 63907234
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
2-(cyclopropylamino)-3-(2-ethylphenoxy)propan-1-ol
CID 64806250
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64804920

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol (CID 64805124) is 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol is CCc1ccc(OCC(CO)NC2CC2)c(C(C)(C)C)c1.
What is the InChIKey of 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol?
The InChIKey is VLUPBHREPOGRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-13-6-9-17(16(10-13)18(2,3)4)21-12-15(11-20)19-14-7-8-14/h6,9-10,14-15,19-20H,5,7-8,11-12H2,1-4H3.
What are the key properties of 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol?
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 64805124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).