3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol

C17H27NO2 — CID 64802269

IUPAC3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCC(CO)(COc1ccc(C(C)(C)C)cc1)NC1CC1
InChIInChI=1S/C17H27NO2/c1-16(2,3)13-5-9-15(10-6-13)20-12-17(4,11-19)18-14-7-8-14/h5-6,9-10,14,18-19H,7-8,11-12H2,1-4H3
InChIKeyMRDMHMBHRBIEEJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.87
Rot. Bonds6

About 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol

3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol (PubChem CID 64802269) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol
PubChem CID64802269
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCC(CO)(COc1ccc(C(C)(C)C)cc1)NC1CC1
InChIInChI=1S/C17H27NO2/c1-16(2,3)13-5-9-15(10-6-13)20-12-17(4,11-19)18-14-7-8-14/h5-6,9-10,14,18-19H,7-8,11-12H2,1-4H3
InChIKeyMRDMHMBHRBIEEJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
CID 64803684
2-(cyclopropylamino)-3-ethoxy-2-methylpropan-1-ol
CID 64803244
2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805055
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine
CID 94686640
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810807
2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
CID 64802459

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol (CID 64802269) is 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol is CC(CO)(COc1ccc(C(C)(C)C)cc1)NC1CC1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The InChIKey is MRDMHMBHRBIEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)13-5-9-15(10-6-13)20-12-17(4,11-19)18-14-7-8-14/h5-6,9-10,14,18-19H,7-8,11-12H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol?
3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 64802269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).