1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol

C16H27NO2 — CID 21124908

IUPAC1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C16H27NO2/c1-4-5-8-14-9-6-7-10-16(14)19-12-15(18)11-17-13(2)3/h6-7,9-10,13,15,17-18H,4-5,8,11-12H2,1-3H3
InChIKeyBBRGNBMNASAKQO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.77
Rot. Bonds9

About 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 21124908) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID21124908
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C16H27NO2/c1-4-5-8-14-9-6-7-10-16(14)19-12-15(18)11-17-13(2)3/h6-7,9-10,13,15,17-18H,4-5,8,11-12H2,1-3H3
InChIKeyBBRGNBMNASAKQO-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14029276
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-[2-(2,3-dibromopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 11329315
1-(2-octylphenoxy)propan-2-ol
CID 142740915
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 21124908) is 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol is CCCCc1ccccc1OCC(O)CNC(C)C.
What is the InChIKey of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is BBRGNBMNASAKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-8-14-9-6-7-10-16(14)19-12-15(18)11-17-13(2)3/h6-7,9-10,13,15,17-18H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 21124908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).