1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol

C14H22BrNO2 — CID 102947867

IUPAC1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
SMILESCCCNC(C)c1ccc(Br)cc1OCC(C)O
InChIInChI=1S/C14H22BrNO2/c1-4-7-16-11(3)13-6-5-12(15)8-14(13)18-9-10(2)17/h5-6,8,10-11,16-17H,4,7,9H2,1-3H3
InChIKeyMELMYQRUFYIEFF-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.27
Rot. Bonds7

About 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol

1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol (PubChem CID 102947867) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
PubChem CID102947867
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
SMILESCCCNC(C)c1ccc(Br)cc1OCC(C)O
InChIInChI=1S/C14H22BrNO2/c1-4-7-16-11(3)13-6-5-12(15)8-14(13)18-9-10(2)17/h5-6,8,10-11,16-17H,4,7,9H2,1-3H3
InChIKeyMELMYQRUFYIEFF-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 102947830
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
1-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947619
N-[1-(4-bromo-2-phenoxyphenyl)ethyl]propan-1-amine
CID 82975716
N-[1-[4-bromo-2-(furan-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82975485
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
N-[1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 107041724
N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine
CID 102947829
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol (CID 102947867) is 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol is CCCNC(C)c1ccc(Br)cc1OCC(C)O.
What is the InChIKey of 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol?
The InChIKey is MELMYQRUFYIEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-4-7-16-11(3)13-6-5-12(15)8-14(13)18-9-10(2)17/h5-6,8,10-11,16-17H,4,7,9H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol?
1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol has a molecular weight of 316.24 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 102947867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).