1-methoxy-1-phenyl-3-propoxypropan-2-amine

C13H21NO2 — CID 116773005

IUPAC1-methoxy-1-phenyl-3-propoxypropan-2-amine
SMILESCCCOCC(N)C(OC)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-9-16-10-12(14)13(15-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10,14H2,1-2H3
InChIKeyADLIBXSQSFGLKI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds7

About 1-methoxy-1-phenyl-3-propoxypropan-2-amine

1-methoxy-1-phenyl-3-propoxypropan-2-amine (PubChem CID 116773005) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-1-phenyl-3-propoxypropan-2-amine.

Molecular Properties

Compound Name1-methoxy-1-phenyl-3-propoxypropan-2-amine
PubChem CID116773005
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-1-phenyl-3-propoxypropan-2-amine
SMILESCCCOCC(N)C(OC)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-9-16-10-12(14)13(15-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10,14H2,1-2H3
InChIKeyADLIBXSQSFGLKI-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
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

(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472
1-methoxy-5-methyl-1-phenylhexan-2-amine
CID 116772767
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
2-pentoxy-1-phenylethanamine
CID 43275081
1-methoxy-4-methylsulfonyl-1-phenylbutan-2-amine
CID 116772803
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
1-methoxy-2-phenylpentan-3-amine
CID 103466357
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-methoxy-1-phenylbutan-2-ol
CID 116756893
3-methoxy-1-propoxyhexan-2-amine
CID 116718707
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenyl-3-propoxypropan-2-amine?
The IUPAC name of 1-methoxy-1-phenyl-3-propoxypropan-2-amine (CID 116773005) is 1-methoxy-1-phenyl-3-propoxypropan-2-amine.
What is the SMILES notation for 1-methoxy-1-phenyl-3-propoxypropan-2-amine?
The canonical SMILES for 1-methoxy-1-phenyl-3-propoxypropan-2-amine is CCCOCC(N)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenyl-3-propoxypropan-2-amine?
The InChIKey is ADLIBXSQSFGLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-9-16-10-12(14)13(15-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10,14H2,1-2H3.
What are the key properties of 1-methoxy-1-phenyl-3-propoxypropan-2-amine?
1-methoxy-1-phenyl-3-propoxypropan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenyl-3-propoxypropan-2-amine is sourced from PubChem (CID 116773005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).