N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H15BrN2O2 — CID 43742304

IUPACN-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc(NC2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-14-10-12(19(20)21)8-9-16(14)18-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15,18H,3,5,7H2
InChIKeyOMGSXIYWODETIN-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.85
Rot. Bonds3

About N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43742304) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43742304
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc(NC2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-14-10-12(19(20)21)8-9-16(14)18-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15,18H,3,5,7H2
InChIKeyOMGSXIYWODETIN-UHFFFAOYSA-N
XLogP4.85
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62506812
N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43719937
N-(2-bromo-4-nitrophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149127
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552
1-(2-bromo-4-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43742368
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 82789255
N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067494
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
1-[3-nitro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]piperidine-2,6-dione
CID 3339995

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43742304) is N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is O=[N+]([O-])c1ccc(NC2CCCc3ccccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OMGSXIYWODETIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-14-10-12(19(20)21)8-9-16(14)18-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15,18H,3,5,7H2.
What are the key properties of N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 347.21 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43742304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).