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

C16H16N2O2 — CID 7410620

IUPAC(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccccc1N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-18(20)16-11-4-3-9-15(16)17-14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,17H,5,7,10H2/t14-/m0/s1
InChIKeyGJIFPPCHXLRKHJ-AWEZNQCLSA-N
MW268.32 g/mol
LogP4.08
Rot. Bonds3

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

(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 7410620) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID7410620
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccccc1N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-18(20)16-11-4-3-9-15(16)17-14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,17H,5,7,10H2/t14-/m0/s1
InChIKeyGJIFPPCHXLRKHJ-AWEZNQCLSA-N
XLogP4.08
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.08
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-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63541987
1-[3-nitro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]piperidine-2,6-dione
CID 3339995
N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43742304
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-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
CID 43056658
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
N-[2-(dimethylamino)ethyl]-3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzenesulfonamide
CID 9282816
6-chloro-N-(2-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232229
4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
CID 51301434

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 7410620) is (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is O=[N+]([O-])c1ccccc1N[C@H]1CCCc2ccccc21.
What is the InChIKey of (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GJIFPPCHXLRKHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-18(20)16-11-4-3-9-15(16)17-14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,17H,5,7,10H2/t14-/m0/s1.
What are the key properties of (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 268.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 7410620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).