[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine

C12H18FNO2 — CID 60919309

IUPAC[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
SMILESCOCCCOCc1ccc(CN)cc1F
InChIInChI=1S/C12H18FNO2/c1-15-5-2-6-16-9-11-4-3-10(8-14)7-12(11)13/h3-4,7H,2,5-6,8-9,14H2,1H3
InChIKeyPEKPEAWTMVIFNH-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.84
Rot. Bonds7

About [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine

[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine (PubChem CID 60919309) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
PubChem CID60919309
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
SMILESCOCCCOCc1ccc(CN)cc1F
InChIInChI=1S/C12H18FNO2/c1-15-5-2-6-16-9-11-4-3-10(8-14)7-12(11)13/h3-4,7H,2,5-6,8-9,14H2,1H3
InChIKeyPEKPEAWTMVIFNH-UHFFFAOYSA-N
XLogP1.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.84
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-fluoro-4-(3-methoxypropoxymethyl)aniline
CID 64768894
[3-bromo-4-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103181139
[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
CID 112587276
3-fluoro-4-(3-methoxypropoxymethyl)benzenecarbothioamide
CID 54936205
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63359491
3-[3-fluoro-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-yn-1-amine
CID 103404213
[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
CID 28996219
[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine
CID 43530969
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
(E)-3-[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]prop-2-enoic acid
CID 109375524

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine (CID 60919309) is [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine is COCCCOCc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine?
The InChIKey is PEKPEAWTMVIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-15-5-2-6-16-9-11-4-3-10(8-14)7-12(11)13/h3-4,7H,2,5-6,8-9,14H2,1H3.
What are the key properties of [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine?
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine has a molecular weight of 227.28 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine is sourced from PubChem (CID 60919309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).