4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine

C15H25NO2 — CID 144590933

IUPAC4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine
SMILESCOC(CC(C)NCCCc1ccccc1)OC
InChIInChI=1S/C15H25NO2/c1-13(12-15(17-2)18-3)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3
InChIKeyCAXBAOZIQMKOQH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.61
Rot. Bonds9

About 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine

4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine (PubChem CID 144590933) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine.

Molecular Properties

Compound Name4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine
PubChem CID144590933
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine
SMILESCOC(CC(C)NCCCc1ccccc1)OC
InChIInChI=1S/C15H25NO2/c1-13(12-15(17-2)18-3)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3
InChIKeyCAXBAOZIQMKOQH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
3-(3-phenylpropylamino)butanenitrile
CID 60905257
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
6-phenyl-N-propylhexan-2-amine
CID 61485022
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine?
The IUPAC name of 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine (CID 144590933) is 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine.
What is the SMILES notation for 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine?
The canonical SMILES for 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine is COC(CC(C)NCCCc1ccccc1)OC.
What is the InChIKey of 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine?
The InChIKey is CAXBAOZIQMKOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(12-15(17-2)18-3)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3.
What are the key properties of 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine?
4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-N-(3-phenylpropyl)butan-2-amine is sourced from PubChem (CID 144590933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).