(5-amino-1-bromonaphthalen-2-yl) carbamate

C11H9BrN2O2 — CID 172817145

IUPAC(5-amino-1-bromonaphthalen-2-yl) carbamate
SMILESNC(=O)Oc1ccc2c(N)cccc2c1Br
InChIInChI=1S/C11H9BrN2O2/c12-10-7-2-1-3-8(13)6(7)4-5-9(10)16-11(14)15/h1-5H,13H2,(H2,14,15)
InChIKeySYOURWHZEGMHDI-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.64
Rot. Bonds1

About (5-amino-1-bromonaphthalen-2-yl) carbamate

(5-amino-1-bromonaphthalen-2-yl) carbamate (PubChem CID 172817145) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is (5-amino-1-bromonaphthalen-2-yl) carbamate.

Molecular Properties

Compound Name(5-amino-1-bromonaphthalen-2-yl) carbamate
PubChem CID172817145
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name(5-amino-1-bromonaphthalen-2-yl) carbamate
SMILESNC(=O)Oc1ccc2c(N)cccc2c1Br
InChIInChI=1S/C11H9BrN2O2/c12-10-7-2-1-3-8(13)6(7)4-5-9(10)16-11(14)15/h1-5H,13H2,(H2,14,15)
InChIKeySYOURWHZEGMHDI-UHFFFAOYSA-N
XLogP2.64
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-bromo-7-methoxynaphthalen-1-yl)carbamate
CID 59813095
4-Bromo-7-methoxynaphthalen-1-amine
CID 59813112
4-(1-Bromonaphthalen-2-yl)oxy-2-methylaniline
CID 63458104
(6-Amino-5-bromonaphthalen-2-yl) methyl carbonate
CID 68103842
2-(6-Amino-1-bromonaphthalen-2-yl)oxyacetonitrile
CID 69137733
5-Bromo-6,7-dimethoxynaphthalen-1-amine
CID 89053880
1-Bromo-6-methoxy-2-naphthylamine
CID 117604294
(5-Aminonaphthalen-2-yl) formate
CID 141416751
1-Bromo-7-methoxynaphthalen-2-amine
CID 150258534
4-Bromo-7-methoxynaphthalen-1-amine;hydrochloride
CID 164586266
4-Bromo-7-methoxynaphthalen-1-amine;ethane
CID 164586272
5-Amino-4-bromonaphthalen-2-yl pivalate
CID 169009525

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-bromonaphthalen-2-yl) carbamate?
The IUPAC name of (5-amino-1-bromonaphthalen-2-yl) carbamate (CID 172817145) is (5-amino-1-bromonaphthalen-2-yl) carbamate.
What is the SMILES notation for (5-amino-1-bromonaphthalen-2-yl) carbamate?
The canonical SMILES for (5-amino-1-bromonaphthalen-2-yl) carbamate is NC(=O)Oc1ccc2c(N)cccc2c1Br.
What is the InChIKey of (5-amino-1-bromonaphthalen-2-yl) carbamate?
The InChIKey is SYOURWHZEGMHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-10-7-2-1-3-8(13)6(7)4-5-9(10)16-11(14)15/h1-5H,13H2,(H2,14,15).
What are the key properties of (5-amino-1-bromonaphthalen-2-yl) carbamate?
(5-amino-1-bromonaphthalen-2-yl) carbamate has a molecular weight of 281.11 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-bromonaphthalen-2-yl) carbamate is sourced from PubChem (CID 172817145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).