1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride

C13H20ClNO — CID 45259733

IUPAC1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride
SMILESCOc1ccc(C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13;/h5-8H,2-4,9-10,14H2,1H3;1H
InChIKeyKKSZEGRXHDMJFP-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride

1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 45259733) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride
PubChem CID45259733
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride
SMILESCOc1ccc(C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13;/h5-8H,2-4,9-10,14H2,1H3;1H
InChIKeyKKSZEGRXHDMJFP-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-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride (CID 45259733) is 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride is COc1ccc(C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is KKSZEGRXHDMJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13;/h5-8H,2-4,9-10,14H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride?
1-(4-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-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).