1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine

C17H28FNO2 — CID 105122233

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCCC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H28FNO2/c1-4-9-19-15(8-11-21-10-5-2)12-14-6-7-17(20-3)16(18)13-14/h6-7,13,15,19H,4-5,8-12H2,1-3H3
InChIKeyBRRZIEWWFFSILC-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.56
Rot. Bonds11

About 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine

1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine (PubChem CID 105122233) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
PubChem CID105122233
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCCC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H28FNO2/c1-4-9-19-15(8-11-21-10-5-2)12-14-6-7-17(20-3)16(18)13-14/h6-7,13,15,19H,4-5,8-12H2,1-3H3
InChIKeyBRRZIEWWFFSILC-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.56
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-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928394
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 105122208
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
4-(2,2-difluoroethoxy)-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 103149423
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105122244
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine (CID 105122233) is 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine is CCCNC(CCOCCC)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
The InChIKey is BRRZIEWWFFSILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-4-9-19-15(8-11-21-10-5-2)12-14-6-7-17(20-3)16(18)13-14/h6-7,13,15,19H,4-5,8-12H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine has a molecular weight of 297.41 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine is sourced from PubChem (CID 105122233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).