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

C14H22FNO — CID 28996219

IUPAC[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
SMILESCC(C)CCCOCc1cc(CN)ccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)4-3-7-17-10-13-8-12(9-16)5-6-14(13)15/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3
InChIKeyCDKBMWWVROQHHR-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.24
Rot. Bonds7

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

[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine (PubChem CID 28996219) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
PubChem CID28996219
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
SMILESCC(C)CCCOCc1cc(CN)ccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)4-3-7-17-10-13-8-12(9-16)5-6-14(13)15/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3
InChIKeyCDKBMWWVROQHHR-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
CID 107878945
[3,5-difluoro-4-(4-methylpentoxy)phenyl]methanamine
CID 81294772
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
2-fluoro-3-(4-methylpentoxymethyl)aniline
CID 107347911
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711
2-[4-(4-methylpentoxymethyl)phenyl]propan-1-amine
CID 105349727

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine (CID 28996219) is [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine is CC(C)CCCOCc1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine?
The InChIKey is CDKBMWWVROQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(2)4-3-7-17-10-13-8-12(9-16)5-6-14(13)15/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine?
[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine has a molecular weight of 239.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine is sourced from PubChem (CID 28996219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).