1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine

C13H20FNO — CID 2845385

IUPAC1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
SMILESCOCCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-11(15-8-3-9-16-2)10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyVHCIDBKWWKYQDV-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.38
Rot. Bonds7

About 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine

1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine (PubChem CID 2845385) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
PubChem CID2845385
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
SMILESCOCCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-11(15-8-3-9-16-2)10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyVHCIDBKWWKYQDV-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.38
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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine (CID 2845385) is 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine is COCCCNC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
The InChIKey is VHCIDBKWWKYQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-11(15-8-3-9-16-2)10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine?
1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine is sourced from PubChem (CID 2845385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).