3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine

C14H20ClNO — CID 79618917

IUPAC3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Oc2cc(Cl)ccc2C)C1
InChIInChI=1S/C14H20ClNO/c1-10-6-7-11(15)8-14(10)17-13-5-3-4-12(9-13)16-2/h6-8,12-13,16H,3-5,9H2,1-2H3
InChIKeyCHMRNUCVMBADTD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds3

About 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine

3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine (PubChem CID 79618917) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
PubChem CID79618917
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Oc2cc(Cl)ccc2C)C1
InChIInChI=1S/C14H20ClNO/c1-10-6-7-11(15)8-14(10)17-13-5-3-4-12(9-13)16-2/h6-8,12-13,16H,3-5,9H2,1-2H3
InChIKeyCHMRNUCVMBADTD-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine (CID 79618917) is 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine is CNC1CCCC(Oc2cc(Cl)ccc2C)C1.
What is the InChIKey of 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
The InChIKey is CHMRNUCVMBADTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-6-7-11(15)8-14(10)17-13-5-3-4-12(9-13)16-2/h6-8,12-13,16H,3-5,9H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79618917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).