3-butoxy-N-ethyl-1-phenylpropan-1-amine

C15H25NO — CID 115002192

IUPAC3-butoxy-N-ethyl-1-phenylpropan-1-amine
SMILESCCCCOCCC(NCC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-5-12-17-13-11-15(16-4-2)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13H2,1-2H3
InChIKeyNFAWWYLXSBGPAG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds9

About 3-butoxy-N-ethyl-1-phenylpropan-1-amine

3-butoxy-N-ethyl-1-phenylpropan-1-amine (PubChem CID 115002192) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-butoxy-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-ethyl-1-phenylpropan-1-amine
PubChem CID115002192
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-butoxy-N-ethyl-1-phenylpropan-1-amine
SMILESCCCCOCCC(NCC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-5-12-17-13-11-15(16-4-2)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13H2,1-2H3
InChIKeyNFAWWYLXSBGPAG-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
4-butoxy-2-phenylbutan-1-amine
CID 65429103
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
4-butoxy-1-phenylbutan-1-amine
CID 61483795

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-butoxy-N-ethyl-1-phenylpropan-1-amine (CID 115002192) is 3-butoxy-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-butoxy-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-butoxy-N-ethyl-1-phenylpropan-1-amine is CCCCOCCC(NCC)c1ccccc1.
What is the InChIKey of 3-butoxy-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is NFAWWYLXSBGPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-12-17-13-11-15(16-4-2)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13H2,1-2H3.
What are the key properties of 3-butoxy-N-ethyl-1-phenylpropan-1-amine?
3-butoxy-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 115002192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).