N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C17H18N2O2 — CID 12042843

IUPACN-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCN(c1ccccc1[N+](=O)[O-])c1cccc2c1CCCC2
InChIInChI=1S/C17H18N2O2/c1-18(16-10-4-5-11-17(16)19(20)21)15-12-6-8-13-7-2-3-9-14(13)15/h4-6,8,10-12H,2-3,7,9H2,1H3
InChIKeyHLSIFUMOYNMQEG-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.24
Rot. Bonds3

About N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 12042843) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID12042843
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCN(c1ccccc1[N+](=O)[O-])c1cccc2c1CCCC2
InChIInChI=1S/C17H18N2O2/c1-18(16-10-4-5-11-17(16)19(20)21)15-12-6-8-13-7-2-3-9-14(13)15/h4-6,8,10-12H,2-3,7,9H2,1H3
InChIKeyHLSIFUMOYNMQEG-UHFFFAOYSA-N
XLogP4.24
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
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-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 22620551
N,N-bis(methoxymethyl)-2-nitroaniline
CID 142764651
6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 12835978
N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
N-methyl-N-(2-nitrophenyl)pyridin-3-amine
CID 121011639
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
4-(N-methyl-2-nitroanilino)benzonitrile
CID 62983487
N,N-dichloro-2-nitroaniline
CID 13272655
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133273815
nitric acid;1,2,3,4-tetrahydronaphthalene
CID 21399469
N-methyl-2-nitro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 47034320
N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline
CID 10710261

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 12042843) is N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine is CN(c1ccccc1[N+](=O)[O-])c1cccc2c1CCCC2.
What is the InChIKey of N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is HLSIFUMOYNMQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18(16-10-4-5-11-17(16)19(20)21)15-12-6-8-13-7-2-3-9-14(13)15/h4-6,8,10-12H,2-3,7,9H2,1H3.
What are the key properties of N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 282.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 12042843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).