[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine

C14H20N2O3 — CID 64750029

IUPAC[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine
SMILESCC1CCC(Oc2ccc([N+](=O)[O-])cc2CN)CC1
InChIInChI=1S/C14H20N2O3/c1-10-2-5-13(6-3-10)19-14-7-4-12(16(17)18)8-11(14)9-15/h4,7-8,10,13H,2-3,5-6,9,15H2,1H3
InChIKeyBEPHRKZPABNBTO-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.01
Rot. Bonds4

About [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine

[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine (PubChem CID 64750029) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine
PubChem CID64750029
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine
SMILESCC1CCC(Oc2ccc([N+](=O)[O-])cc2CN)CC1
InChIInChI=1S/C14H20N2O3/c1-10-2-5-13(6-3-10)19-14-7-4-12(16(17)18)8-11(14)9-15/h4,7-8,10,13H,2-3,5-6,9,15H2,1H3
InChIKeyBEPHRKZPABNBTO-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

2-(4-methylcyclohexyl)oxy-5-nitrobenzoic acid
CID 43184670
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-methyl-1-[5-nitro-2-(oxan-4-yloxy)phenyl]methanamine
CID 63937221
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
2-(3,4-dimethylcyclohexyl)oxy-5-nitroaniline
CID 64745503
ethyl 2-[2-(aminomethyl)-4-nitrophenoxy]pentanoate
CID 83036342
(5-nitro-2-prop-2-enoxyphenyl)methanamine
CID 60889967
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
CID 170769157

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine?
The IUPAC name of [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine (CID 64750029) is [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine.
What is the SMILES notation for [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine?
The canonical SMILES for [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine is CC1CCC(Oc2ccc([N+](=O)[O-])cc2CN)CC1.
What is the InChIKey of [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine?
The InChIKey is BEPHRKZPABNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-2-5-13(6-3-10)19-14-7-4-12(16(17)18)8-11(14)9-15/h4,7-8,10,13H,2-3,5-6,9,15H2,1H3.
What are the key properties of [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine?
[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine has a molecular weight of 264.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine is sourced from PubChem (CID 64750029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).