6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine

C16H24ClNO — CID 79836411

IUPAC6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(Oc2cc(Cl)ccc2C)CCCC1(C)C
InChIInChI=1S/C16H24ClNO/c1-11-7-8-12(17)10-14(11)19-13-6-5-9-16(2,3)15(13)18-4/h7-8,10,13,15,18H,5-6,9H2,1-4H3
InChIKeyWCZITTUUQWDDIF-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.19
Rot. Bonds3

About 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine

6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 79836411) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
PubChem CID79836411
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(Oc2cc(Cl)ccc2C)CCCC1(C)C
InChIInChI=1S/C16H24ClNO/c1-11-7-8-12(17)10-14(11)19-13-6-5-9-16(2,3)15(13)18-4/h7-8,10,13,15,18H,5-6,9H2,1-4H3
InChIKeyWCZITTUUQWDDIF-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 102980961
6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836604
5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79860197
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 79618917
3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 79632657
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79835479
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 107168928

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine (CID 79836411) is 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine is CNC1C(Oc2cc(Cl)ccc2C)CCCC1(C)C.
What is the InChIKey of 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is WCZITTUUQWDDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11-7-8-12(17)10-14(11)19-13-6-5-9-16(2,3)15(13)18-4/h7-8,10,13,15,18H,5-6,9H2,1-4H3.
What are the key properties of 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79836411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).