(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

C14H21FN2O — CID 116943546

IUPAC(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C(N)C2(CNC)CC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-18-12-5-4-10(8-11(12)15)13(16)14(6-7-14)9-17-2/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3
InChIKeyXXCWNDQDXPUZFX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.22
Rot. Bonds6

About (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116943546) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116943546
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C(N)C2(CNC)CC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-18-12-5-4-10(8-11(12)15)13(16)14(6-7-14)9-17-2/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3
InChIKeyXXCWNDQDXPUZFX-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943533
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943513
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine
CID 112512177
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanamine
CID 116943537
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116
1-(4-ethoxy-3-fluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950328
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116943546) is (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is CCOc1ccc(C(N)C2(CNC)CC2)cc1F.
What is the InChIKey of (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is XXCWNDQDXPUZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-18-12-5-4-10(8-11(12)15)13(16)14(6-7-14)9-17-2/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3.
What are the key properties of (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116943546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).