2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine

C18H29NO2 — CID 62384236

IUPAC2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNCC(OCC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-3-19-13-18(16-9-11-17(20-2)12-10-16)21-14-15-7-5-4-6-8-15/h9-12,15,18-19H,3-8,13-14H2,1-2H3
InChIKeySKRHMSSHWZFWMA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds8

About 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine

2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 62384236) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine
PubChem CID62384236
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNCC(OCC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-3-19-13-18(16-9-11-17(20-2)12-10-16)21-14-15-7-5-4-6-8-15/h9-12,15,18-19H,3-8,13-14H2,1-2H3
InChIKeySKRHMSSHWZFWMA-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylmethoxy)-2-iodoethyl]-4-methoxybenzene
CID 114773998
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276
N-ethyl-2-(4-methoxyphenyl)-2-propoxyethanamine
CID 55036698
N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine
CID 62107398
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
CID 66323116
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62108346

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine (CID 62384236) is 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine is CCNCC(OCC1CCCCC1)c1ccc(OC)cc1.
What is the InChIKey of 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is SKRHMSSHWZFWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-19-13-18(16-9-11-17(20-2)12-10-16)21-14-15-7-5-4-6-8-15/h9-12,15,18-19H,3-8,13-14H2,1-2H3.
What are the key properties of 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 62384236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).