N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C15H22N2O3 — CID 81155477

IUPACN-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1cc(CNC2CCC(C)C2C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-10-4-5-15(11(10)2)16-9-12-6-13(17(18)19)8-14(7-12)20-3/h6-8,10-11,15-16H,4-5,9H2,1-3H3
InChIKeyDPCJTPOZSWWHBA-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.13
Rot. Bonds5

About N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 81155477) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID81155477
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1cc(CNC2CCC(C)C2C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-10-4-5-15(11(10)2)16-9-12-6-13(17(18)19)8-14(7-12)20-3/h6-8,10-11,15-16H,4-5,9H2,1-3H3
InChIKeyDPCJTPOZSWWHBA-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

N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 112646785
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
N-[(3-methoxy-5-nitrophenyl)methyl]oxan-3-amine
CID 81154406
N-[(3-methoxy-5-nitrophenyl)methyl]-1,1-dioxothian-3-amine
CID 81144605
N-[(3-ethoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 69079422
1-[(3-methoxy-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 81166533
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine
CID 112646753
N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline
CID 80724343
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 81154660
3-[(3-methoxy-5-nitrophenyl)methoxy]-4-methylpiperidine
CID 102954203

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 81155477) is N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is COc1cc(CNC2CCC(C)C2C)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is DPCJTPOZSWWHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-5-15(11(10)2)16-9-12-6-13(17(18)19)8-14(7-12)20-3/h6-8,10-11,15-16H,4-5,9H2,1-3H3.
What are the key properties of N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(3-methoxy-5-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-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 81155477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).