3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine

C17H29NO2 — CID 115704472

IUPAC3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1ccccc1OCC
InChIInChI=1S/C17H29NO2/c1-4-6-13-19-14-9-12-18-15(3)16-10-7-8-11-17(16)20-5-2/h7-8,10-11,15,18H,4-6,9,12-14H2,1-3H3
InChIKeyNSUFPBRNEOBDTG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine

3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine (PubChem CID 115704472) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
PubChem CID115704472
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1ccccc1OCC
InChIInChI=1S/C17H29NO2/c1-4-6-13-19-14-9-12-18-15(3)16-10-7-8-11-17(16)20-5-2/h7-8,10-11,15,18H,4-6,9,12-14H2,1-3H3
InChIKeyNSUFPBRNEOBDTG-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
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-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
N-[1-(2-butoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804468
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
N-[1-(2-pentoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804469
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine (CID 115704472) is 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine is CCCCOCCCNC(C)c1ccccc1OCC.
What is the InChIKey of 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
The InChIKey is NSUFPBRNEOBDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-13-19-14-9-12-18-15(3)16-10-7-8-11-17(16)20-5-2/h7-8,10-11,15,18H,4-6,9,12-14H2,1-3H3.
What are the key properties of 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine?
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115704472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).