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

C17H28FNO2 — CID 105180625

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCCC)Cc1cccc(OC)c1F
InChIInChI=1S/C17H28FNO2/c1-4-10-19-15(9-12-21-11-5-2)13-14-7-6-8-16(20-3)17(14)18/h6-8,15,19H,4-5,9-13H2,1-3H3
InChIKeyNQMDAVHYIABVGM-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.56
Rot. Bonds11

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

1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine (PubChem CID 105180625) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
PubChem CID105180625
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCCC)Cc1cccc(OC)c1F
InChIInChI=1S/C17H28FNO2/c1-4-10-19-15(9-12-21-11-5-2)13-14-7-6-8-16(20-3)17(14)18/h6-8,15,19H,4-5,9-13H2,1-3H3
InChIKeyNQMDAVHYIABVGM-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

1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(2-fluoro-3-methoxyphenyl)-4-propoxybutan-2-amine
CID 105180608
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2-bromo-4-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105136340
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine (CID 105180625) is 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine is CCCNC(CCOCCC)Cc1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
The InChIKey is NQMDAVHYIABVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-4-10-19-15(9-12-21-11-5-2)13-14-7-6-8-16(20-3)17(14)18/h6-8,15,19H,4-5,9-13H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine?
1-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine is sourced from PubChem (CID 105180625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).