2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine

C16H24ClNO — CID 64751211

IUPAC2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Oc1ccc(C)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-10-5-6-15(13(17)8-10)19-16-12(3)7-11(2)9-14(16)18-4/h5-6,8,11-12,14,16,18H,7,9H2,1-4H3
InChIKeyPWGPGARBQDBPHM-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.05
Rot. Bonds3

About 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine

2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64751211) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64751211
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Oc1ccc(C)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-10-5-6-15(13(17)8-10)19-16-12(3)7-11(2)9-14(16)18-4/h5-6,8,11-12,14,16,18H,7,9H2,1-4H3
InChIKeyPWGPGARBQDBPHM-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 102981126
2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751193
3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
CID 66343960
2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine
CID 64752568
2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752881
3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 64750729
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine
CID 113439799
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 106857795
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62671078

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine (CID 64751211) is 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Oc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is PWGPGARBQDBPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-10-5-6-15(13(17)8-10)19-16-12(3)7-11(2)9-14(16)18-4/h5-6,8,11-12,14,16,18H,7,9H2,1-4H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.05, 3 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)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64751211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).