1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

C16H26N2O — CID 116958555

IUPAC1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCCc1ccc(OC)c(C(NC)C2(CNC)CC2)c1
InChIInChI=1S/C16H26N2O/c1-5-12-6-7-14(19-4)13(10-12)15(18-3)16(8-9-16)11-17-2/h6-7,10,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyWMDWGFDJFXYOOC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds7

About 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116958555) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116958555
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCCc1ccc(OC)c(C(NC)C2(CNC)CC2)c1
InChIInChI=1S/C16H26N2O/c1-5-12-6-7-14(19-4)13(10-12)15(18-3)16(8-9-16)11-17-2/h6-7,10,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyWMDWGFDJFXYOOC-UHFFFAOYSA-N
XLogP2.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958159
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943513
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951367
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116958555) is 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is CCc1ccc(OC)c(C(NC)C2(CNC)CC2)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is WMDWGFDJFXYOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-12-6-7-14(19-4)13(10-12)15(18-3)16(8-9-16)11-17-2/h6-7,10,15,17-18H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116958555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).