[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine

C13H18FNO — CID 106199490

IUPAC[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCCC1CCC1
InChIInChI=1S/C13H18FNO/c14-12-4-5-13(11(8-12)9-15)16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9,15H2
InChIKeyMTCYIEYULRKLPM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.85
Rot. Bonds5

About [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine

[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine (PubChem CID 106199490) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
PubChem CID106199490
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCCC1CCC1
InChIInChI=1S/C13H18FNO/c14-12-4-5-13(11(8-12)9-15)16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9,15H2
InChIKeyMTCYIEYULRKLPM-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 107694623
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739688
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide
CID 106201683
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine (CID 106199490) is [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine is NCc1cc(F)ccc1OCCC1CCC1.
What is the InChIKey of [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine?
The InChIKey is MTCYIEYULRKLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-4-5-13(11(8-12)9-15)16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9,15H2.
What are the key properties of [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine?
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 106199490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).