[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine

C11H16FNO2 — CID 81106628

IUPAC[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCCF
InChIInChI=1S/C11H16FNO2/c1-14-11-7-9(8-13)3-4-10(11)15-6-2-5-12/h3-4,7H,2,5-6,8,13H2,1H3
InChIKeyVGWQIDNEFSTCEH-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.89
Rot. Bonds6

About [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine

[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine (PubChem CID 81106628) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
PubChem CID81106628
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCCF
InChIInChI=1S/C11H16FNO2/c1-14-11-7-9(8-13)3-4-10(11)15-6-2-5-12/h3-4,7H,2,5-6,8,13H2,1H3
InChIKeyVGWQIDNEFSTCEH-UHFFFAOYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine (CID 81106628) is [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1OCCCF.
What is the InChIKey of [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine?
The InChIKey is VGWQIDNEFSTCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-11-7-9(8-13)3-4-10(11)15-6-2-5-12/h3-4,7H,2,5-6,8,13H2,1H3.
What are the key properties of [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine?
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine has a molecular weight of 213.25 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 81106628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).