N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine

C15H30ClNO — CID 19762347

IUPACN-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
SMILESCC1CCC(C(C)C)C(OCCN(C)CCCl)C1
InChIInChI=1S/C15H30ClNO/c1-12(2)14-6-5-13(3)11-15(14)18-10-9-17(4)8-7-16/h12-15H,5-11H2,1-4H3
InChIKeyURUOGNKUYNWBRB-UHFFFAOYSA-N
MW275.86 g/mol
LogP3.63
Rot. Bonds7

About N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine

N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine (PubChem CID 19762347) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
PubChem CID19762347
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC NameN-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
SMILESCC1CCC(C(C)C)C(OCCN(C)CCCl)C1
InChIInChI=1S/C15H30ClNO/c1-12(2)14-6-5-13(3)11-15(14)18-10-9-17(4)8-7-16/h12-15H,5-11H2,1-4H3
InChIKeyURUOGNKUYNWBRB-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 53.63
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 N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The IUPAC name of N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine (CID 19762347) is N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine is CC1CCC(C(C)C)C(OCCN(C)CCCl)C1.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The InChIKey is URUOGNKUYNWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-12(2)14-6-5-13(3)11-15(14)18-10-9-17(4)8-7-16/h12-15H,5-11H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine has a molecular weight of 275.86 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine is sourced from PubChem (CID 19762347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).