N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine

C18H29NO2 — CID 115465037

IUPACN-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1COC1CCCC(OC)C1
InChIInChI=1S/C18H29NO2/c1-3-19-12-11-15-7-4-5-8-16(15)14-21-18-10-6-9-17(13-18)20-2/h4-5,7-8,17-19H,3,6,9-14H2,1-2H3
InChIKeyDRCMMDOUTITELF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds8

About N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine

N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine (PubChem CID 115465037) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
PubChem CID115465037
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1COC1CCCC(OC)C1
InChIInChI=1S/C18H29NO2/c1-3-19-12-11-15-7-4-5-8-16(15)14-21-18-10-6-9-17(13-18)20-2/h4-5,7-8,17-19H,3,6,9-14H2,1-2H3
InChIKeyDRCMMDOUTITELF-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
CID 115460772
2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
CID 115465265
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
2-[(3-methoxycyclohexyl)oxymethyl]-N-methyl-6-nitroaniline
CID 107352397
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464530
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine (CID 115465037) is N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine is CCNCCc1ccccc1COC1CCCC(OC)C1.
What is the InChIKey of N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine?
The InChIKey is DRCMMDOUTITELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-19-12-11-15-7-4-5-8-16(15)14-21-18-10-6-9-17(13-18)20-2/h4-5,7-8,17-19H,3,6,9-14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine?
N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine is sourced from PubChem (CID 115465037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).