3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine

C16H27NO2 — CID 103464688

IUPAC3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
SMILESCCCCOCCCNC(COC)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-4-12-19-13-8-11-17-16(14-18-2)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3
InChIKeyIGJAGDRBRZBPFU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.17
Rot. Bonds11

About 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine

3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine (PubChem CID 103464688) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
PubChem CID103464688
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
SMILESCCCCOCCCNC(COC)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-4-12-19-13-8-11-17-16(14-18-2)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3
InChIKeyIGJAGDRBRZBPFU-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.17
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

N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
CID 106209643
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine?
The IUPAC name of 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine (CID 103464688) is 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine?
The canonical SMILES for 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine is CCCCOCCCNC(COC)c1ccccc1.
What is the InChIKey of 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine?
The InChIKey is IGJAGDRBRZBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-12-19-13-8-11-17-16(14-18-2)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3.
What are the key properties of 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine?
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine is sourced from PubChem (CID 103464688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).