6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine

C15H22ClNO — CID 79836604

IUPAC6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCc1ccc(Cl)cc1OC1CCCC(C)(C)C1N
InChIInChI=1S/C15H22ClNO/c1-10-6-7-11(16)9-13(10)18-12-5-4-8-15(2,3)14(12)17/h6-7,9,12,14H,4-5,8,17H2,1-3H3
InChIKeyBXDVUIQBQWJGBZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.93
Rot. Bonds2

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

6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836604) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine
PubChem CID79836604
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCc1ccc(Cl)cc1OC1CCCC(C)(C)C1N
InChIInChI=1S/C15H22ClNO/c1-10-6-7-11(16)9-13(10)18-12-5-4-8-15(2,3)14(12)17/h6-7,9,12,14H,4-5,8,17H2,1-3H3
InChIKeyBXDVUIQBQWJGBZ-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine (CID 79836604) is 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine is Cc1ccc(Cl)cc1OC1CCCC(C)(C)C1N.
What is the InChIKey of 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is BXDVUIQBQWJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-6-7-11(16)9-13(10)18-12-5-4-8-15(2,3)14(12)17/h6-7,9,12,14H,4-5,8,17H2,1-3H3.
What are the key properties of 6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine?
6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.93, 2 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)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).