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

Name: 1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₂BrNO₂ — CID 102947867

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
PubChem CID	102947867
Molecular Formula	C₁₄H₂₂BrNO₂
Molecular Weight	316.24 g/mol
Exact Mass	315.08
IUPAC Name	1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
SMILES	CCCNC(C)c1ccc(Br)cc1OCC(C)O
InChI	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
InChIKey	MELMYQRUFYIEFF-UHFFFAOYSA-N
XLogP	3.27
TPSA	41.49 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.24
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 102947867 — identifiers, structure, computed properties (public domain)

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