N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine

C16H26N2O2 — CID 62019654

IUPACN-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
SMILESCNCc1ccc(OC)c(CN(CCOC)C2CC2)c1
InChIInChI=1S/C16H26N2O2/c1-17-11-13-4-7-16(20-3)14(10-13)12-18(8-9-19-2)15-5-6-15/h4,7,10,15,17H,5-6,8-9,11-12H2,1-3H3
InChIKeySZZLCPPPTDRZMO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds9

About N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine

N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62019654) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
PubChem CID62019654
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
SMILESCNCc1ccc(OC)c(CN(CCOC)C2CC2)c1
InChIInChI=1S/C16H26N2O2/c1-17-11-13-4-7-16(20-3)14(10-13)12-18(8-9-19-2)15-5-6-15/h4,7,10,15,17H,5-6,8-9,11-12H2,1-3H3
InChIKeySZZLCPPPTDRZMO-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62435763
2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
CID 62017781
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
CID 62018577
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 62018739
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
CID 107398013
1-[4-methoxy-3-(octoxymethyl)phenyl]-N-methylmethanamine
CID 62018951

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine (CID 62019654) is N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine is CNCc1ccc(OC)c(CN(CCOC)C2CC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is SZZLCPPPTDRZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-11-13-4-7-16(20-3)14(10-13)12-18(8-9-19-2)15-5-6-15/h4,7,10,15,17H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62019654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).