2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride

C13H20ClNO — CID 71756770

IUPAC2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride
SMILESCc1cccc(OC2CCCCC2N)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14;/h4-6,9,12-13H,2-3,7-8,14H2,1H3;1H
InChIKeyDHDDIBNBUHINFV-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.07
Rot. Bonds2

About 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride

2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride (PubChem CID 71756770) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride
PubChem CID71756770
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride
SMILESCc1cccc(OC2CCCCC2N)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14;/h4-6,9,12-13H,2-3,7-8,14H2,1H3;1H
InChIKeyDHDDIBNBUHINFV-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride (CID 71756770) is 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride is Cc1cccc(OC2CCCCC2N)c1.Cl.
What is the InChIKey of 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride?
The InChIKey is DHDDIBNBUHINFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14;/h4-6,9,12-13H,2-3,7-8,14H2,1H3;1H.
What are the key properties of 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride?
2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 71756770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).