1-(3-fluoro-4-hexoxyphenyl)propan-2-amine

C15H24FNO — CID 107693191

IUPAC1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
SMILESCCCCCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C15H24FNO/c1-3-4-5-6-9-18-15-8-7-13(10-12(2)17)11-14(15)16/h7-8,11-12H,3-6,9-10,17H2,1-2H3
InChIKeyPYLPQLFLMGJTDG-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.67
Rot. Bonds8

About 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine

1-(3-fluoro-4-hexoxyphenyl)propan-2-amine (PubChem CID 107693191) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
PubChem CID107693191
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
SMILESCCCCCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C15H24FNO/c1-3-4-5-6-9-18-15-8-7-13(10-12(2)17)11-14(15)16/h7-8,11-12H,3-6,9-10,17H2,1-2H3
InChIKeyPYLPQLFLMGJTDG-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080
2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene
CID 59683719
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
4-dodecoxy-3-fluoroaniline
CID 63404209
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine (CID 107693191) is 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine is CCCCCCOc1ccc(CC(C)N)cc1F.
What is the InChIKey of 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine?
The InChIKey is PYLPQLFLMGJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-4-5-6-9-18-15-8-7-13(10-12(2)17)11-14(15)16/h7-8,11-12H,3-6,9-10,17H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine?
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hexoxyphenyl)propan-2-amine is sourced from PubChem (CID 107693191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).