1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine

C14H20N2O3 — CID 43472649

IUPAC1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1OC1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-15-10-11-9-12(16(17)18)7-8-14(11)19-13-5-3-2-4-6-13/h7-9,13,15H,2-6,10H2,1H3
InChIKeyXSZSYMNLIQARAP-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine

1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine (PubChem CID 43472649) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
PubChem CID43472649
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1OC1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-15-10-11-9-12(16(17)18)7-8-14(11)19-13-5-3-2-4-6-13/h7-9,13,15H,2-6,10H2,1H3
InChIKeyXSZSYMNLIQARAP-UHFFFAOYSA-N
XLogP3.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.03
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-methyl-1-[5-nitro-2-(oxan-4-yloxy)phenyl]methanamine
CID 63937221
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
1-(3-cyclohexyloxy-4-nitrophenyl)-N-methylmethanamine
CID 62115686
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide
CID 141225863
2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine
CID 64750029
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine (CID 43472649) is 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine is CNCc1cc([N+](=O)[O-])ccc1OC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine?
The InChIKey is XSZSYMNLIQARAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-10-11-9-12(16(17)18)7-8-14(11)19-13-5-3-2-4-6-13/h7-9,13,15H,2-6,10H2,1H3.
What are the key properties of 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine?
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine has a molecular weight of 264.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine is sourced from PubChem (CID 43472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).