1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride

C13H20ClNO — CID 45259886

IUPAC1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride
SMILESCOc1ccccc1C1(N)CCCCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-15-12-8-4-3-7-11(12)13(14)9-5-2-6-10-13;/h3-4,7-8H,2,5-6,9-10,14H2,1H3;1H
InChIKeySRHPDNWTHHRCSE-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.24
Rot. Bonds2

About 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride

1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 45259886) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride
PubChem CID45259886
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride
SMILESCOc1ccccc1C1(N)CCCCC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-15-12-8-4-3-7-11(12)13(14)9-5-2-6-10-13;/h3-4,7-8H,2,5-6,9-10,14H2,1H3;1H
InChIKeySRHPDNWTHHRCSE-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride (CID 45259886) is 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride is COc1ccccc1C1(N)CCCCC1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is SRHPDNWTHHRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-15-12-8-4-3-7-11(12)13(14)9-5-2-6-10-13;/h3-4,7-8H,2,5-6,9-10,14H2,1H3;1H.
What are the key properties of 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).