1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine

C13H21NO3 — CID 107506641

IUPAC1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
SMILESCNC(COC)COCCOc1ccccc1
InChIInChI=1S/C13H21NO3/c1-14-12(10-15-2)11-16-8-9-17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyJWTCXPWPKWHHGX-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.32
Rot. Bonds9

About 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine

1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine (PubChem CID 107506641) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
PubChem CID107506641
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
SMILESCNC(COC)COCCOc1ccccc1
InChIInChI=1S/C13H21NO3/c1-14-12(10-15-2)11-16-8-9-17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyJWTCXPWPKWHHGX-UHFFFAOYSA-N
XLogP1.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
N-(2-phenoxyethoxy)methanamine
CID 117126931
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
(4-bromo-5-methoxypentoxy)benzene
CID 62320030
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine (CID 107506641) is 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine is CNC(COC)COCCOc1ccccc1.
What is the InChIKey of 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine?
The InChIKey is JWTCXPWPKWHHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14-12(10-15-2)11-16-8-9-17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine?
1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine is sourced from PubChem (CID 107506641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).