N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine

C18H29NO2 — CID 43434085

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCOc1cccc(CNC2CCCCC2CC)c1OC
InChIInChI=1S/C18H29NO2/c1-4-14-9-6-7-11-16(14)19-13-15-10-8-12-17(21-5-2)18(15)20-3/h8,10,12,14,16,19H,4-7,9,11,13H2,1-3H3
InChIKeyLSOZZOFWHRJRPD-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.15
Rot. Bonds7

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 43434085) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID43434085
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCOc1cccc(CNC2CCCCC2CC)c1OC
InChIInChI=1S/C18H29NO2/c1-4-14-9-6-7-11-16(14)19-13-15-10-8-12-17(21-5-2)18(15)20-3/h8,10,12,14,16,19H,4-7,9,11,13H2,1-3H3
InChIKeyLSOZZOFWHRJRPD-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 55071667
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
CID 43784273
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225
2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43434087
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 43224478
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine (CID 43434085) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine is CCOc1cccc(CNC2CCCCC2CC)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is LSOZZOFWHRJRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-9-6-7-11-16(14)19-13-15-10-8-12-17(21-5-2)18(15)20-3/h8,10,12,14,16,19H,4-7,9,11,13H2,1-3H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 43434085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).