1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine

C15H24FNO — CID 81106764

IUPAC1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCCCF
InChIInChI=1S/C15H24FNO/c1-3-11-17-14(4-2)13-8-5-6-9-15(13)18-12-7-10-16/h5-6,8-9,14,17H,3-4,7,10-12H2,1-2H3
InChIKeyAUPJZYHHHSFKJC-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.88
Rot. Bonds9

About 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine

1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine (PubChem CID 81106764) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
PubChem CID81106764
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCCCF
InChIInChI=1S/C15H24FNO/c1-3-11-17-14(4-2)13-8-5-6-9-15(13)18-12-7-10-16/h5-6,8-9,14,17H,3-4,7,10-12H2,1-2H3
InChIKeyAUPJZYHHHSFKJC-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.88
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-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
CID 102740250
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 60882098
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine (CID 81106764) is 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OCCCF.
What is the InChIKey of 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is AUPJZYHHHSFKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-11-17-14(4-2)13-8-5-6-9-15(13)18-12-7-10-16/h5-6,8-9,14,17H,3-4,7,10-12H2,1-2H3.
What are the key properties of 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine?
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 81106764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).