1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine

C14H22FNO2 — CID 81114497

IUPAC1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCCCF)c(OC)c1
InChIInChI=1S/C14H22FNO2/c1-3-12(16)9-11-5-6-13(14(10-11)17-2)18-8-4-7-15/h5-6,10,12H,3-4,7-9,16H2,1-2H3
InChIKeyAXNKEVSAICJGAH-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.71
Rot. Bonds8

About 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine

1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine (PubChem CID 81114497) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
PubChem CID81114497
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCCCF)c(OC)c1
InChIInChI=1S/C14H22FNO2/c1-3-12(16)9-11-5-6-13(14(10-11)17-2)18-8-4-7-15/h5-6,10,12H,3-4,7-9,16H2,1-2H3
InChIKeyAXNKEVSAICJGAH-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-[4-(3-fluoropropoxy)-3-(trifluoromethyl)phenyl]butan-2-amine
CID 81114854
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[4-methoxy-3-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455598
1-(3-methoxy-4-prop-2-ynoxyphenyl)butan-2-amine;hydrochloride
CID 170889669
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine?
The IUPAC name of 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine (CID 81114497) is 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine is CCC(N)Cc1ccc(OCCCF)c(OC)c1.
What is the InChIKey of 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine?
The InChIKey is AXNKEVSAICJGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-12(16)9-11-5-6-13(14(10-11)17-2)18-8-4-7-15/h5-6,10,12H,3-4,7-9,16H2,1-2H3.
What are the key properties of 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine?
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine has a molecular weight of 255.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine is sourced from PubChem (CID 81114497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).