2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine

C16H24ClNO — CID 104749395

IUPAC2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
SMILESCNC(COc1ccc(C)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-12-8-9-16(14(17)10-12)19-11-15(18-2)13-6-4-3-5-7-13/h8-10,13,15,18H,3-7,11H2,1-2H3
InChIKeyUQRSOAVKDMQCQT-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds5

About 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine

2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine (PubChem CID 104749395) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
PubChem CID104749395
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
SMILESCNC(COc1ccc(C)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-12-8-9-16(14(17)10-12)19-11-15(18-2)13-6-4-3-5-7-13/h8-10,13,15,18H,3-7,11H2,1-2H3
InChIKeyUQRSOAVKDMQCQT-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
CID 104748343
2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63500567
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine (CID 104749395) is 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine is CNC(COc1ccc(C)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine?
The InChIKey is UQRSOAVKDMQCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12-8-9-16(14(17)10-12)19-11-15(18-2)13-6-4-3-5-7-13/h8-10,13,15,18H,3-7,11H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine?
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 104749395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).