N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine

C18H31NO2 — CID 102928317

IUPACN-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
SMILESCCNC(CCOCCOC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31NO2/c1-5-19-18(9-10-21-12-11-20-4)17-8-6-7-16(14-17)13-15(2)3/h6-8,14-15,18-19H,5,9-13H2,1-4H3
InChIKeyWGDPQZFRUKSTQU-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.59
Rot. Bonds11

About N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine

N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine (PubChem CID 102928317) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
PubChem CID102928317
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
SMILESCCNC(CCOCCOC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31NO2/c1-5-19-18(9-10-21-12-11-20-4)17-8-6-7-16(14-17)13-15(2)3/h6-8,14-15,18-19H,5,9-13H2,1-4H3
InChIKeyWGDPQZFRUKSTQU-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.59
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-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine (CID 102928317) is N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine is CCNC(CCOCCOC)c1cccc(CC(C)C)c1.
What is the InChIKey of N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
The InChIKey is WGDPQZFRUKSTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-19-18(9-10-21-12-11-20-4)17-8-6-7-16(14-17)13-15(2)3/h6-8,14-15,18-19H,5,9-13H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine is sourced from PubChem (CID 102928317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).