1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine

C14H20N2O4 — CID 64572751

IUPAC1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
SMILESCOc1ccc(OCC2(N)CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-19-11-5-6-13(12(9-11)16(17)18)20-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyPWCRTLRNWZPSCF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.64
Rot. Bonds5

About 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine

1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine (PubChem CID 64572751) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
PubChem CID64572751
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
SMILESCOc1ccc(OCC2(N)CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-19-11-5-6-13(12(9-11)16(17)18)20-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyPWCRTLRNWZPSCF-UHFFFAOYSA-N
XLogP2.64
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-iodo-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 66082541
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65496144
4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide
CID 82993102
2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetonitrile
CID 65494076
1-[(2-methyl-4-nitrophenoxy)methyl]cycloheptan-1-amine
CID 64548981
N-[(1-aminocyclobutyl)methyl]-4-methoxy-2-nitroaniline
CID 103353990
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
1-[(2-iodo-4-nitrophenoxy)methyl]cyclohexan-1-amine
CID 66094336
4-[[1-(bromomethyl)cyclopentyl]methoxy]-1-methoxy-2-nitrobenzene
CID 103201590
[1-[(5-methoxy-2-nitrophenoxy)methyl]cyclopentyl]methanethiol
CID 102703848

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine (CID 64572751) is 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine is COc1ccc(OCC2(N)CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine?
The InChIKey is PWCRTLRNWZPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-11-5-6-13(12(9-11)16(17)18)20-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3.
What are the key properties of 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine?
1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64572751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).