2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

C13H26ClNO — CID 102637569

IUPAC2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCN(CCOC(C)(C)C)C1CCCCC1Cl
InChIInChI=1S/C13H26ClNO/c1-13(2,3)16-10-9-15(4)12-8-6-5-7-11(12)14/h11-12H,5-10H2,1-4H3
InChIKeyHWOBAPGGDSQGJM-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (PubChem CID 102637569) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
PubChem CID102637569
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCN(CCOC(C)(C)C)C1CCCCC1Cl
InChIInChI=1S/C13H26ClNO/c1-13(2,3)16-10-9-15(4)12-8-6-5-7-11(12)14/h11-12H,5-10H2,1-4H3
InChIKeyHWOBAPGGDSQGJM-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (CID 102637569) is 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is CN(CCOC(C)(C)C)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The InChIKey is HWOBAPGGDSQGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-13(2,3)16-10-9-15(4)12-8-6-5-7-11(12)14/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine has a molecular weight of 247.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 102637569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).