1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine

C14H20N2O3 — CID 65020246

IUPAC1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CC1(N)CCCCC1
InChIInChI=1S/C14H20N2O3/c1-19-13-6-5-12(16(17)18)9-11(13)10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyHEHJUOYUVZSPON-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.81
Rot. Bonds4

About 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine

1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine (PubChem CID 65020246) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
PubChem CID65020246
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CC1(N)CCCCC1
InChIInChI=1S/C14H20N2O3/c1-19-13-6-5-12(16(17)18)9-11(13)10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyHEHJUOYUVZSPON-UHFFFAOYSA-N
XLogP2.81
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.81
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

1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65421156
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
2-[(2-methoxy-5-nitrophenyl)methyl]thiolane-2-carboxylic acid
CID 83174589
[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine
CID 65393020
1-[(2-methyl-4-nitrophenoxy)methyl]cycloheptan-1-amine
CID 64548981
3-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140525
4-[(2-methoxy-5-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 63129673
1-[(2-iodo-4-nitrophenoxy)methyl]cyclohexan-1-amine
CID 66094336
N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
CID 83013548
1-[(2-bromo-4-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196727
N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797970
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine (CID 65020246) is 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine is COc1ccc([N+](=O)[O-])cc1CC1(N)CCCCC1.
What is the InChIKey of 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine?
The InChIKey is HEHJUOYUVZSPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-6-5-12(16(17)18)9-11(13)10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3.
What are the key properties of 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine?
1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65020246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).