(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

C14H22N2O — CID 116943533

IUPAC(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C(N)C2(CNC)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-3-17-12-6-4-11(5-7-12)13(15)14(8-9-14)10-16-2/h4-7,13,16H,3,8-10,15H2,1-2H3
InChIKeyXFYAHLCWHLLSSC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.08
Rot. Bonds6

About (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116943533) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116943533
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C(N)C2(CNC)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-3-17-12-6-4-11(5-7-12)13(15)14(8-9-14)10-16-2/h4-7,13,16H,3,8-10,15H2,1-2H3
InChIKeyXFYAHLCWHLLSSC-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943546
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanamine
CID 116943537
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
CID 105051512
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116943982
(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943597
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116943533) is (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is CCOc1ccc(C(N)C2(CNC)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is XFYAHLCWHLLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-12-6-4-11(5-7-12)13(15)14(8-9-14)10-16-2/h4-7,13,16H,3,8-10,15H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116943533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).