(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

C13H19FN2O — CID 116943513

IUPAC(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C13H19FN2O/c1-16-8-13(5-6-13)12(15)10-7-9(14)3-4-11(10)17-2/h3-4,7,12,16H,5-6,8,15H2,1-2H3
InChIKeyUMCKPHMPJBTUAQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.83
Rot. Bonds5

About (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116943513) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116943513
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C13H19FN2O/c1-16-8-13(5-6-13)12(15)10-7-9(14)3-4-11(10)17-2/h3-4,7,12,16H,5-6,8,15H2,1-2H3
InChIKeyUMCKPHMPJBTUAQ-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544
1-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943063
1-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944054
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
[(5-fluoro-2-methoxyphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253466
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958555

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116943513) is (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(N)c2cc(F)ccc2OC)CC1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is UMCKPHMPJBTUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16-8-13(5-6-13)12(15)10-7-9(14)3-4-11(10)17-2/h3-4,7,12,16H,5-6,8,15H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116943513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).