N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine

C18H22FNO — CID 81432612

IUPACN-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2OCC)c(F)c1
InChIInChI=1S/C18H22FNO/c1-3-11-20-13-14-9-10-15(17(19)12-14)16-7-5-6-8-18(16)21-4-2/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyIWQRVPLHDQALDD-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.39
Rot. Bonds7

About N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine

N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine (PubChem CID 81432612) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
PubChem CID81432612
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2OCC)c(F)c1
InChIInChI=1S/C18H22FNO/c1-3-11-20-13-14-9-10-15(17(19)12-14)16-7-5-6-8-18(16)21-4-2/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyIWQRVPLHDQALDD-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-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
N-[[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 81431993
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81446655
N-[[5-(2-ethoxyphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 62801701
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-[[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447730

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine (CID 81432612) is N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2ccccc2OCC)c(F)c1.
What is the InChIKey of N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine?
The InChIKey is IWQRVPLHDQALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-11-20-13-14-9-10-15(17(19)12-14)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-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine?
N-[[4-(2-ethoxyphenyl)-3-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-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 81432612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).