N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H15ClN2O2 — CID 63541987

IUPACN-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1cccc(Cl)c1NC1CCCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-13-8-4-10-15(19(20)21)16(13)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14,18H,3,6,9H2
InChIKeyRCSKQARVYHGXJM-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.74
Rot. Bonds3

About N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63541987) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63541987
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1cccc(Cl)c1NC1CCCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-13-8-4-10-15(19(20)21)16(13)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14,18H,3,6,9H2
InChIKeyRCSKQARVYHGXJM-UHFFFAOYSA-N
XLogP4.74
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.74
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

N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
2-chloro-N-cyclobutyl-6-nitroaniline
CID 62416552
N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 63746470
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 40597380
4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 47008998

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63541987) is N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is O=[N+]([O-])c1cccc(Cl)c1NC1CCCc2ccccc21.
What is the InChIKey of N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RCSKQARVYHGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-13-8-4-10-15(19(20)21)16(13)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14,18H,3,6,9H2.
What are the key properties of N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 302.76 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63541987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).