[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine

C11H16FNO2 — CID 103566053

IUPAC[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OCCCF)c1
InChIInChI=1S/C11H16FNO2/c1-14-10-5-9(8-13)6-11(7-10)15-4-2-3-12/h5-7H,2-4,8,13H2,1H3
InChIKeyOLESCDRVAKAQEB-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.89
Rot. Bonds6

About [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine

[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine (PubChem CID 103566053) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
PubChem CID103566053
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OCCCF)c1
InChIInChI=1S/C11H16FNO2/c1-14-10-5-9(8-13)6-11(7-10)15-4-2-3-12/h5-7H,2-4,8,13H2,1H3
InChIKeyOLESCDRVAKAQEB-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-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
CID 103566172
[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 103566173
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 103566148
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine (CID 103566053) is [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine is COc1cc(CN)cc(OCCCF)c1.
What is the InChIKey of [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine?
The InChIKey is OLESCDRVAKAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-10-5-9(8-13)6-11(7-10)15-4-2-3-12/h5-7H,2-4,8,13H2,1H3.
What are the key properties of [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine?
[3-(3-fluoropropoxy)-5-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 [3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 103566053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).