N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine

C18H22FNO — CID 62801701

IUPACN-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccccc2OCC)ccc1F
InChIInChI=1S/C18H22FNO/c1-3-11-20-13-15-12-14(9-10-17(15)19)16-7-5-6-8-18(16)21-4-2/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyJQZDOOIRXRKEMP-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.39
Rot. Bonds7

About N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine

N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine (PubChem CID 62801701) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine
PubChem CID62801701
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccccc2OCC)ccc1F
InChIInChI=1S/C18H22FNO/c1-3-11-20-13-15-12-14(9-10-17(15)19)16-7-5-6-8-18(16)21-4-2/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyJQZDOOIRXRKEMP-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.39
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

N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81432612
N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 64984782
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
N-[[2-fluoro-5-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033006
N-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63989406
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63273146
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847805
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine (CID 62801701) is N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(-c2ccccc2OCC)ccc1F.
What is the InChIKey of N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine?
The InChIKey is JQZDOOIRXRKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-11-20-13-15-12-14(9-10-17(15)19)16-7-5-6-8-18(16)21-4-2/h5-10,12,20H,3-4,11,13H2,1-2H3.
What are the key properties of N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine?
N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 62801701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).