N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C15H22N2O3 — CID 64908275

IUPACN-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCC(C)C2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-10-4-6-13(11(10)2)16-9-12-5-7-15(20-3)14(8-12)17(18)19/h5,7-8,10-11,13,16H,4,6,9H2,1-3H3
InChIKeyIJVQHMIOWMFIOO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.13
Rot. Bonds5

About N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64908275) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64908275
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCC(C)C2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-10-4-6-13(11(10)2)16-9-12-5-7-15(20-3)14(8-12)17(18)19/h5,7-8,10-11,13,16H,4,6,9H2,1-3H3
InChIKeyIJVQHMIOWMFIOO-UHFFFAOYSA-N
XLogP3.13
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine
CID 134071908
N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 81155477
N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881430
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
N-[(4-methoxy-3-nitrophenyl)methyl]thian-3-amine
CID 115676048
N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870600
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 112646785
N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907420
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64908275) is N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is COc1ccc(CNC2CCC(C)C2C)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is IJVQHMIOWMFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-6-13(11(10)2)16-9-12-5-7-15(20-3)14(8-12)17(18)19/h5,7-8,10-11,13,16H,4,6,9H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64908275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).