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

C17H18N2O2 — CID 43719937

IUPACN-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12-11-14(19(20)21)9-10-16(12)18-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17-18H,4,6,8H2,1H3
InChIKeyWNRBHNWDCAAWDT-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.39
Rot. Bonds3

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

N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43719937) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43719937
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12-11-14(19(20)21)9-10-16(12)18-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17-18H,4,6,8H2,1H3
InChIKeyWNRBHNWDCAAWDT-UHFFFAOYSA-N
XLogP4.39
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.39
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-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
1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43719996
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
CID 43056658
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-methyl-5-nitrobenzoate
CID 60596516
1-[3-nitro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]piperidine-2,6-dione
CID 3339995
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43719937) is N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc([N+](=O)[O-])ccc1NC1CCCc2ccccc21.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WNRBHNWDCAAWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-11-14(19(20)21)9-10-16(12)18-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17-18H,4,6,8H2,1H3.
What are the key properties of N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 282.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43719937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).