2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine

C16H18FNO — CID 39360189

IUPAC2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCOc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-13-4-2-5-14(10-13)12-18-8-9-19-16-7-3-6-15(17)11-16/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyQRHAIGHTRJRFFL-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.30
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine

2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 39360189) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID39360189
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCOc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-13-4-2-5-14(10-13)12-18-8-9-19-16-7-3-6-15(17)11-16/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyQRHAIGHTRJRFFL-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.30
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-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
2,6-difluoro-4-[[2-(3-methylphenoxy)ethylamino]methyl]phenol
CID 79831957
N-[(3-chloro-4-methylphenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 106816722
N-[(2-chloro-5-fluorophenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 102615600
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
3-[[3-[2-(3-methylphenyl)ethoxy]phenyl]methylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121351
N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 115982826
N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 102910510
4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
CID 58276753
N-[(3-fluorophenyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 61031608
N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 60659093

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine (CID 39360189) is 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNCCOc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is QRHAIGHTRJRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-13-4-2-5-14(10-13)12-18-8-9-19-16-7-3-6-15(17)11-16/h2-7,10-11,18H,8-9,12H2,1H3.
What are the key properties of 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine?
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 39360189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).