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

C15H22N2O3 — CID 115881430

IUPACN-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCC(C)(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-15(2)7-6-12(9-15)16-10-11-4-5-14(20-3)13(8-11)17(18)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyFDGFRTPOSRJYHO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.27
Rot. Bonds5

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

N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 115881430) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID115881430
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCC(C)(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-15(2)7-6-12(9-15)16-10-11-4-5-14(20-3)13(8-11)17(18)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyFDGFRTPOSRJYHO-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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'}

Analyze N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870600
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
N-[(4-methoxy-3-nitrophenyl)methyl]thian-3-amine
CID 115676048
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881518
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
CID 111425458
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
N-[[3-nitro-4-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106449734
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 115881430) is N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine is COc1ccc(CNC2CCC(C)(C)C2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is FDGFRTPOSRJYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)7-6-12(9-15)16-10-11-4-5-14(20-3)13(8-11)17(18)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.27, 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]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115881430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).