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

C15H22ClNO — CID 64751015

IUPAC2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCc1cc(OC2C(C)CC(C)CC2N)ccc1Cl
InChIInChI=1S/C15H22ClNO/c1-9-6-11(3)15(14(17)7-9)18-12-4-5-13(16)10(2)8-12/h4-5,8-9,11,14-15H,6-7,17H2,1-3H3
InChIKeyWLPFQKFNJHWWDH-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.79
Rot. Bonds2

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

2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751015) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
PubChem CID64751015
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCc1cc(OC2C(C)CC(C)CC2N)ccc1Cl
InChIInChI=1S/C15H22ClNO/c1-9-6-11(3)15(14(17)7-9)18-12-4-5-13(16)10(2)8-12/h4-5,8-9,11,14-15H,6-7,17H2,1-3H3
InChIKeyWLPFQKFNJHWWDH-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine (CID 64751015) is 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine is Cc1cc(OC2C(C)CC(C)CC2N)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is WLPFQKFNJHWWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-9-6-11(3)15(14(17)7-9)18-12-4-5-13(16)10(2)8-12/h4-5,8-9,11,14-15H,6-7,17H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).