3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine

C23H32FNO3 — CID 17207951

IUPAC3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCCOCCCNCc1cccc(OCC)c1OCc1ccccc1F
InChIInChI=1S/C23H32FNO3/c1-3-5-15-26-16-9-14-25-17-19-11-8-13-22(27-4-2)23(19)28-18-20-10-6-7-12-21(20)24/h6-8,10-13,25H,3-5,9,14-18H2,1-2H3
InChIKeyRACZIJUNACPARG-UHFFFAOYSA-N
MW389.51 g/mol
LogP5.10
Rot. Bonds14

About 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine

3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 17207951) has the molecular formula C23H32FNO3 and a molecular weight of 389.51 g/mol. Its IUPAC name is 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID17207951
Molecular FormulaC23H32FNO3
Molecular Weight389.51 g/mol
Exact Mass389.24
IUPAC Name3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCCOCCCNCc1cccc(OCC)c1OCc1ccccc1F
InChIInChI=1S/C23H32FNO3/c1-3-5-15-26-16-9-14-25-17-19-11-8-13-22(27-4-2)23(19)28-18-20-10-6-7-12-21(20)24/h6-8,10-13,25H,3-5,9,14-18H2,1-2H3
InChIKeyRACZIJUNACPARG-UHFFFAOYSA-N
XLogP5.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17212617
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17206139
1-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17216203
3-butoxy-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17207628
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 17212648
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212733
3-butoxy-N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 17207603
2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17209966
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-butoxypropan-1-amine
CID 66534758

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine (CID 17207951) is 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine is CCCCOCCCNCc1cccc(OCC)c1OCc1ccccc1F.
What is the InChIKey of 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is RACZIJUNACPARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO3/c1-3-5-15-26-16-9-14-25-17-19-11-8-13-22(27-4-2)23(19)28-18-20-10-6-7-12-21(20)24/h6-8,10-13,25H,3-5,9,14-18H2,1-2H3.
What are the key properties of 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 389.51 g/mol, XLogP of 5.10, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 17207951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).