N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine

C16H25NO2 — CID 43189974

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
SMILESCOc1ccc(C(C)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-12(17-13-7-5-4-6-8-13)15-10-9-14(18-2)11-16(15)19-3/h9-13,17H,4-8H2,1-3H3
InChIKeyANBSKDYFYASUOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine

N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine (PubChem CID 43189974) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
PubChem CID43189974
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
SMILESCOc1ccc(C(C)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-12(17-13-7-5-4-6-8-13)15-10-9-14(18-2)11-16(15)19-3/h9-13,17H,4-8H2,1-3H3
InChIKeyANBSKDYFYASUOS-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 75427981
cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
CID 86779556
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine (CID 43189974) is N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine is COc1ccc(C(C)NC2CCCCC2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine?
The InChIKey is ANBSKDYFYASUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(17-13-7-5-4-6-8-13)15-10-9-14(18-2)11-16(15)19-3/h9-13,17H,4-8H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine?
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine has a molecular weight of 263.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine is sourced from PubChem (CID 43189974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).