[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine

C14H22FNO2 — CID 112587276

IUPAC[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
SMILESCC(C)(C)OCCOCc1ccc(CN)cc1F
InChIInChI=1S/C14H22FNO2/c1-14(2,3)18-7-6-17-10-12-5-4-11(9-16)8-13(12)15/h4-5,8H,6-7,9-10,16H2,1-3H3
InChIKeyYMQNZMKTNPXDBO-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.62
Rot. Bonds6

About [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine

[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine (PubChem CID 112587276) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
PubChem CID112587276
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
SMILESCC(C)(C)OCCOCc1ccc(CN)cc1F
InChIInChI=1S/C14H22FNO2/c1-14(2,3)18-7-6-17-10-12-5-4-11(9-16)8-13(12)15/h4-5,8H,6-7,9-10,16H2,1-3H3
InChIKeyYMQNZMKTNPXDBO-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.62
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)phenyl]methanamine
CID 60919309
[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-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]boronic acid
CID 112588686
[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 102663509
[4-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
CID 28996219
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine (CID 112587276) is [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine is CC(C)(C)OCCOCc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine?
The InChIKey is YMQNZMKTNPXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,3)18-7-6-17-10-12-5-4-11(9-16)8-13(12)15/h4-5,8H,6-7,9-10,16H2,1-3H3.
What are the key properties of [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine?
[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine has a molecular weight of 255.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine is sourced from PubChem (CID 112587276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).