N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine

C17H20FNO — CID 114782944

IUPACN-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
SMILESFc1cccc(COCCCNCc2ccccc2)c1
InChIInChI=1S/C17H20FNO/c18-17-9-4-8-16(12-17)14-20-11-5-10-19-13-15-6-2-1-3-7-15/h1-4,6-9,12,19H,5,10-11,13-14H2
InChIKeyCUILMHATQIOUMT-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.52
Rot. Bonds8

About N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine

N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine (PubChem CID 114782944) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
PubChem CID114782944
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
SMILESFc1cccc(COCCCNCc2ccccc2)c1
InChIInChI=1S/C17H20FNO/c18-17-9-4-8-16(12-17)14-20-11-5-10-19-13-15-6-2-1-3-7-15/h1-4,6-9,12,19H,5,10-11,13-14H2
InChIKeyCUILMHATQIOUMT-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.52
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

3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78816669
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 114783023
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
CID 107307020
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
8-[(3-fluorophenyl)methoxy]octanoic acid
CID 66874952
N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine
CID 82353872
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine (CID 114782944) is N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine is Fc1cccc(COCCCNCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine?
The InChIKey is CUILMHATQIOUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-17-9-4-8-16(12-17)14-20-11-5-10-19-13-15-6-2-1-3-7-15/h1-4,6-9,12,19H,5,10-11,13-14H2.
What are the key properties of N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine?
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine is sourced from PubChem (CID 114782944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).