N-(2-methyl-5-nitrophenyl)adamantan-2-amine

C17H22N2O2 — CID 43718569

IUPACN-(2-methyl-5-nitrophenyl)adamantan-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O2/c1-10-2-3-15(19(20)21)9-16(10)18-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17-18H,4-8H2,1H3
InChIKeyUZTWJJUHSWMNQK-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.14
Rot. Bonds3

About N-(2-methyl-5-nitrophenyl)adamantan-2-amine

N-(2-methyl-5-nitrophenyl)adamantan-2-amine (PubChem CID 43718569) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)adamantan-2-amine
PubChem CID43718569
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(2-methyl-5-nitrophenyl)adamantan-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O2/c1-10-2-3-15(19(20)21)9-16(10)18-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17-18H,4-8H2,1H3
InChIKeyUZTWJJUHSWMNQK-UHFFFAOYSA-N
XLogP4.14
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.14
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-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
1-N-(2-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458653
2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile
CID 15207366
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
3-methyl-N-(2-methyl-5-nitrophenyl)oxan-4-amine
CID 114240471
2-(hydroxymethyl)-5-(2-methyl-5-nitroanilino)oxolan-3-ol
CID 2848917
1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 43718577
(2R,3S,4R,5R)-2-(2-methyl-5-nitroanilino)oxane-3,4,5-triol
CID 7065168
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
1-methyl-N-(2-methyl-5-nitrophenyl)piperidin-3-amine
CID 62590133

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)adamantan-2-amine?
The IUPAC name of N-(2-methyl-5-nitrophenyl)adamantan-2-amine (CID 43718569) is N-(2-methyl-5-nitrophenyl)adamantan-2-amine.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)adamantan-2-amine?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)adamantan-2-amine is Cc1ccc([N+](=O)[O-])cc1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)adamantan-2-amine?
The InChIKey is UZTWJJUHSWMNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-2-3-15(19(20)21)9-16(10)18-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17-18H,4-8H2,1H3.
What are the key properties of N-(2-methyl-5-nitrophenyl)adamantan-2-amine?
N-(2-methyl-5-nitrophenyl)adamantan-2-amine has a molecular weight of 286.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)adamantan-2-amine is sourced from PubChem (CID 43718569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).