N-[(2-nitrophenyl)methyl]adamantan-2-amine

C17H22N2O2 — CID 792005

IUPACN-[(2-nitrophenyl)methyl]adamantan-2-amine
SMILESO=[N+]([O-])c1ccccc1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O2/c20-19(21)16-4-2-1-3-13(16)10-18-17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,11-12,14-15,17-18H,5-10H2
InChIKeyOPAIDXBKFDKJEL-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.51
Rot. Bonds4

About N-[(2-nitrophenyl)methyl]adamantan-2-amine

N-[(2-nitrophenyl)methyl]adamantan-2-amine (PubChem CID 792005) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]adamantan-2-amine
PubChem CID792005
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(2-nitrophenyl)methyl]adamantan-2-amine
SMILESO=[N+]([O-])c1ccccc1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O2/c20-19(21)16-4-2-1-3-13(16)10-18-17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,11-12,14-15,17-18H,5-10H2
InChIKeyOPAIDXBKFDKJEL-UHFFFAOYSA-N
XLogP3.51
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.51
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-nitrophenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711632
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
CID 43317674
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-nitrophenyl)acetamide
CID 976012
N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-1-(2-nitrophenyl)methanesulfonamide
CID 158105932
3-methylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926173
3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine
CID 103743244
N-(1-adamantyl)-2-(2-nitrophenyl)acetamide
CID 27650254
8-tert-butyl-N-[(2-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 58964801
3-ethylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926221
N-[(2-nitrophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747379
N-[(2-nitrophenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730633
1-(2-bicyclo[2.2.1]heptanyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 2902564

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]adamantan-2-amine?
The IUPAC name of N-[(2-nitrophenyl)methyl]adamantan-2-amine (CID 792005) is N-[(2-nitrophenyl)methyl]adamantan-2-amine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]adamantan-2-amine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]adamantan-2-amine is O=[N+]([O-])c1ccccc1CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-nitrophenyl)methyl]adamantan-2-amine?
The InChIKey is OPAIDXBKFDKJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-19(21)16-4-2-1-3-13(16)10-18-17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,11-12,14-15,17-18H,5-10H2.
What are the key properties of N-[(2-nitrophenyl)methyl]adamantan-2-amine?
N-[(2-nitrophenyl)methyl]adamantan-2-amine has a molecular weight of 286.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]adamantan-2-amine is sourced from PubChem (CID 792005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).