[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine

C16H18FNO3 — CID 20989786

IUPAC[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3/c1-19-15-7-2-12(11-18)10-16(15)21-9-8-20-14-5-3-13(17)4-6-14/h2-7,10H,8-9,11,18H2,1H3
InChIKeyFBHBOJJLPDLQKN-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.75
Rot. Bonds7

About [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine

[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine (PubChem CID 20989786) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
PubChem CID20989786
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3/c1-19-15-7-2-12(11-18)10-16(15)21-9-8-20-14-5-3-13(17)4-6-14/h2-7,10H,8-9,11,18H2,1H3
InChIKeyFBHBOJJLPDLQKN-UHFFFAOYSA-N
XLogP2.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22687113
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine (CID 20989786) is [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1OCCOc1ccc(F)cc1.
What is the InChIKey of [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine?
The InChIKey is FBHBOJJLPDLQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-15-7-2-12(11-18)10-16(15)21-9-8-20-14-5-3-13(17)4-6-14/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine?
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine has a molecular weight of 291.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 20989786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).