N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride

C15H24ClNO — CID 23106150

IUPACN-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
SMILESCOc1ccc(CCNC2CCCCC2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-17-15-9-7-13(8-10-15)11-12-16-14-5-3-2-4-6-14;/h7-10,14,16H,2-6,11-12H2,1H3;1H
InChIKeyLFOKINBFDBELBM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.58
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride

N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride (PubChem CID 23106150) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
PubChem CID23106150
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
SMILESCOc1ccc(CCNC2CCCCC2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-17-15-9-7-13(8-10-15)11-12-16-14-5-3-2-4-6-14;/h7-10,14,16H,2-6,11-12H2,1H3;1H
InChIKeyLFOKINBFDBELBM-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472958
N-[2-(4-methoxyphenyl)ethylsulfamoyl]cyclohexanamine
CID 110675836
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride (CID 23106150) is N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride is COc1ccc(CCNC2CCCCC2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride?
The InChIKey is LFOKINBFDBELBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-17-15-9-7-13(8-10-15)11-12-16-14-5-3-2-4-6-14;/h7-10,14,16H,2-6,11-12H2,1H3;1H.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride?
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 23106150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).