3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine

C16H27NO2 — CID 103228598

IUPAC3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)OCCCc1ccccc1
InChIInChI=1S/C16H27NO2/c1-14(2)17-12-16(13-18-3)19-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3
InChIKeyPSOXXJIACPBSKZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds10

About 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine

3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 103228598) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
PubChem CID103228598
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)OCCCc1ccccc1
InChIInChI=1S/C16H27NO2/c1-14(2)17-12-16(13-18-3)19-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3
InChIKeyPSOXXJIACPBSKZ-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
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-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine
CID 103227977
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227914
N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
CID 83044112
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
N-methyl-2-(3-phenylpropoxy)pentan-1-amine
CID 83045802
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
methyl (2S)-2-(3-phenylpropoxy)propanoate
CID 103337960
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
methyl (2R)-2-(3-phenylpropoxy)propanoate
CID 103337959
2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine (CID 103228598) is 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)OCCCc1ccccc1.
What is the InChIKey of 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is PSOXXJIACPBSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)17-12-16(13-18-3)19-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3.
What are the key properties of 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine?
3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103228598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).