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

C16H28ClNO2 — CID 21124907

IUPAC1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCCCCc1ccccc1OCC(O)CNC(C)C.Cl
InChIInChI=1S/C16H27NO2.ClH/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;1H
InChIKeyHDZVFRRHEWONHX-UHFFFAOYSA-N
MW301.86 g/mol
LogP3.19
Rot. Bonds9

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

1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 21124907) has the molecular formula C16H28ClNO2 and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID21124907
Molecular FormulaC16H28ClNO2
Molecular Weight301.86 g/mol
Exact Mass301.18
IUPAC Name1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCCCCc1ccccc1OCC(O)CNC(C)C.Cl
InChIInChI=1S/C16H27NO2.ClH/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;1H
InChIKeyHDZVFRRHEWONHX-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
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-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-octylphenoxy)propan-2-ol
CID 142740915
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 21124907) is 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CCCCc1ccccc1OCC(O)CNC(C)C.Cl.
What is the InChIKey of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is HDZVFRRHEWONHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.ClH/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;1H.
What are the key properties of 1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 3.19, 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;hydrochloride is sourced from PubChem (CID 21124907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).