[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine

C13H19FN2O — CID 116943800

IUPAC[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2(CN)CCC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-17-11-4-3-9(7-10(11)14)12(16)13(8-15)5-2-6-13/h3-4,7,12H,2,5-6,8,15-16H2,1H3
InChIKeyOMYVJGUGHFNMOD-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.96
Rot. Bonds4

About [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine

[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 116943800) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID116943800
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2(CN)CCC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-17-11-4-3-9(7-10(11)14)12(16)13(8-15)5-2-6-13/h3-4,7,12H,2,5-6,8,15-16H2,1H3
InChIKeyOMYVJGUGHFNMOD-UHFFFAOYSA-N
XLogP1.96
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
CID 116943351
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
[1-(aminomethyl)cyclobutyl]-(3-chloro-4-fluorophenyl)methanamine
CID 116943859
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
CID 116943456

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine (CID 116943800) is [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)C2(CN)CCC2)cc1F.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is OMYVJGUGHFNMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-11-4-3-9(7-10(11)14)12(16)13(8-15)5-2-6-13/h3-4,7,12H,2,5-6,8,15-16H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine?
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 116943800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).