1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol

C16H18BrNO2 — CID 43343228

IUPAC1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO2/c17-13-3-1-12-8-16(6-2-11(12)7-13)20-10-15(19)9-18-14-4-5-14/h1-3,6-8,14-15,18-19H,4-5,9-10H2
InChIKeyUUILITCYBHCBBN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.09
Rot. Bonds6

About 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol

1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol (PubChem CID 43343228) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol
PubChem CID43343228
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO2/c17-13-3-1-12-8-16(6-2-11(12)7-13)20-10-15(19)9-18-14-4-5-14/h1-3,6-8,14-15,18-19H,4-5,9-10H2
InChIKeyUUILITCYBHCBBN-UHFFFAOYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol (CID 43343228) is 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol?
The InChIKey is UUILITCYBHCBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-13-3-1-12-8-16(6-2-11(12)7-13)20-10-15(19)9-18-14-4-5-14/h1-3,6-8,14-15,18-19H,4-5,9-10H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol?
1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol has a molecular weight of 336.23 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 43343228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).