7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C10H13ClN2O2 — CID 23298420

IUPAC7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCl.NC1CCc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H12N2O2.ClH/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9;/h2,4,6,9H,1,3,5,11H2;1H
InChIKeyDAYRGFHXWCSBQP-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.83
Rot. Bonds1

About 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 23298420) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID23298420
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCl.NC1CCc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H12N2O2.ClH/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9;/h2,4,6,9H,1,3,5,11H2;1H
InChIKeyDAYRGFHXWCSBQP-UHFFFAOYSA-N
XLogP1.83
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.83
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

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CID 55278481
1-(3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-2-one
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6-nitro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 86114706
N-benzyl-7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15871447
2-(5-nitro-2,3-dihydro-1H-inden-2-yl)ethyl acetate
CID 25139339
2-cyclopropyl-5-nitro-2,3-dihydro-1H-indole
CID 70828062
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
3-(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-piperidin-4-ylbutan-1-amine
CID 68624835
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Frequently Asked Questions

What is the IUPAC name of 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 23298420) is 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is Cl.NC1CCc2ccc([N+](=O)[O-])cc2C1.
What is the InChIKey of 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is DAYRGFHXWCSBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9;/h2,4,6,9H,1,3,5,11H2;1H.
What are the key properties of 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 23298420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).