N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine

C18H29NO — CID 81035640

IUPACN-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1c1ccc(OC)cc1
InChIInChI=1S/C18H29NO/c1-4-14-6-7-16(13-19-5-2)18(12-14)15-8-10-17(20-3)11-9-15/h8-11,14,16,18-19H,4-7,12-13H2,1-3H3
InChIKeyAGPPWEHDMMTAJA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.21
Rot. Bonds6

About N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine

N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine (PubChem CID 81035640) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
PubChem CID81035640
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1c1ccc(OC)cc1
InChIInChI=1S/C18H29NO/c1-4-14-6-7-16(13-19-5-2)18(12-14)15-8-10-17(20-3)11-9-15/h8-11,14,16,18-19H,4-7,12-13H2,1-3H3
InChIKeyAGPPWEHDMMTAJA-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
1-[2-(4-ethoxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031773
1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114520506
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81033287
N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
CID 116518670
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine (CID 81035640) is N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1c1ccc(OC)cc1.
What is the InChIKey of N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is AGPPWEHDMMTAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-6-7-16(13-19-5-2)18(12-14)15-8-10-17(20-3)11-9-15/h8-11,14,16,18-19H,4-7,12-13H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81035640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).