3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine

C16H27NO2 — CID 115704468

IUPAC3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-12-19-13-6-11-17-14(2)15-7-9-16(18-3)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyPCWJOVVSAGVDLK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds10

About 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine

3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 115704468) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
PubChem CID115704468
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-12-19-13-6-11-17-14(2)15-7-9-16(18-3)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyPCWJOVVSAGVDLK-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43206746
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81370490
4-[1-(3-propoxypropylamino)ethyl]phenol
CID 82941450

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine (CID 115704468) is 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine is CCCCOCCCNC(C)c1ccc(OC)cc1.
What is the InChIKey of 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is PCWJOVVSAGVDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-12-19-13-6-11-17-14(2)15-7-9-16(18-3)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3.
What are the key properties of 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).