1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol

C18H29NO2 — CID 4724

IUPAC1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccccc1C1CCCC1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3
InChIKeyKQXKVJAGOJTNJS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.47
Rot. Bonds6

About 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol

1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol (PubChem CID 4724) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
PubChem CID4724
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccccc1C1CCCC1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3
InChIKeyKQXKVJAGOJTNJS-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol (CID 4724) is 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol is CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.
What is the InChIKey of 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol?
The InChIKey is KQXKVJAGOJTNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol?
1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol is sourced from PubChem (CID 4724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).