N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine

C18H31NO2 — CID 62109368

IUPACN-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
SMILESCCCCCCCOC(CNCC)c1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-4-6-7-8-11-14-21-18(15-19-5-2)16-12-9-10-13-17(16)20-3/h9-10,12-13,18-19H,4-8,11,14-15H2,1-3H3
InChIKeyCVBAPFMEPRFLTN-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds12

About N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine

N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine (PubChem CID 62109368) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
PubChem CID62109368
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
SMILESCCCCCCCOC(CNCC)c1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-4-6-7-8-11-14-21-18(15-19-5-2)16-12-9-10-13-17(16)20-3/h9-10,12-13,18-19H,4-8,11,14-15H2,1-3H3
InChIKeyCVBAPFMEPRFLTN-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
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

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2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62382212
N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111411
1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
CID 114772004
1-(1-ethoxypentyl)-2-methoxybenzene
CID 141341766
1-dodecoxyhexylbenzene
CID 174774790
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine (CID 62109368) is N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine is CCCCCCCOC(CNCC)c1ccccc1OC.
What is the InChIKey of N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine?
The InChIKey is CVBAPFMEPRFLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-6-7-8-11-14-21-18(15-19-5-2)16-12-9-10-13-17(16)20-3/h9-10,12-13,18-19H,4-8,11,14-15H2,1-3H3.
What are the key properties of N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine?
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 62109368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).