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

C15H25NO2 — CID 43770898

IUPAC3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCOCCOCCCNC(C)c1cccc(C)c1
InChIInChI=1S/C15H25NO2/c1-13-6-4-7-15(12-13)14(2)16-8-5-9-18-11-10-17-3/h4,6-7,12,14,16H,5,8-11H2,1-3H3
InChIKeyLNECSTBSMOOOPA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.70
Rot. Bonds9

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

3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 43770898) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID43770898
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCOCCOCCCNC(C)c1cccc(C)c1
InChIInChI=1S/C15H25NO2/c1-13-6-4-7-15(12-13)14(2)16-8-5-9-18-11-10-17-3/h4,6-7,12,14,16H,5,8-11H2,1-3H3
InChIKeyLNECSTBSMOOOPA-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.70
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

3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
N-[(1R)-1-(3-methylphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81361125
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
N-[3-[1-[3-(2-methoxyethoxy)propylamino]ethyl]phenyl]acetamide
CID 43206933
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
N-(3-methoxypropyl)-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361482
(1S)-N-[2-(3-methylbutoxy)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360285
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine (CID 43770898) is 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine is COCCOCCCNC(C)c1cccc(C)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is LNECSTBSMOOOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-6-4-7-15(12-13)14(2)16-8-5-9-18-11-10-17-3/h4,6-7,12,14,16H,5,8-11H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43770898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).