1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol

C16H18BrNO3 — CID 82804127

IUPAC1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
SMILESNc1ccccc1OCC(O)COCc1ccccc1Br
InChIInChI=1S/C16H18BrNO3/c17-14-6-2-1-5-12(14)9-20-10-13(19)11-21-16-8-4-3-7-15(16)18/h1-8,13,19H,9-11,18H2
InChIKeyHRCPTYUYWRAGLG-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.99
Rot. Bonds7

About 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol

1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol (PubChem CID 82804127) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
PubChem CID82804127
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
SMILESNc1ccccc1OCC(O)COCc1ccccc1Br
InChIInChI=1S/C16H18BrNO3/c17-14-6-2-1-5-12(14)9-20-10-13(19)11-21-16-8-4-3-7-15(16)18/h1-8,13,19H,9-11,18H2
InChIKeyHRCPTYUYWRAGLG-UHFFFAOYSA-N
XLogP2.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromophenyl)methoxy]aniline
CID 11208190
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
(2-bromophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61321553
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 62269183
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373
1-(2-aminophenoxy)-3-(4-chlorophenoxy)propan-2-ol
CID 62267239
1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol
CID 82828391

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol (CID 82804127) is 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol is Nc1ccccc1OCC(O)COCc1ccccc1Br.
What is the InChIKey of 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol?
The InChIKey is HRCPTYUYWRAGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c17-14-6-2-1-5-12(14)9-20-10-13(19)11-21-16-8-4-3-7-15(16)18/h1-8,13,19H,9-11,18H2.
What are the key properties of 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol?
1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol has a molecular weight of 352.23 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 82804127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).