N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine

C17H27NO2 — CID 79417115

IUPACN-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
SMILESCOCCOCCC(CNC1CC1)c1cccc(C)c1
InChIInChI=1S/C17H27NO2/c1-14-4-3-5-15(12-14)16(13-18-17-6-7-17)8-9-20-11-10-19-2/h3-5,12,16-18H,6-11,13H2,1-2H3
InChIKeyZVEFTDQAGISDBS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.88
Rot. Bonds10

About N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine

N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine (PubChem CID 79417115) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
PubChem CID79417115
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
SMILESCOCCOCCC(CNC1CC1)c1cccc(C)c1
InChIInChI=1S/C17H27NO2/c1-14-4-3-5-15(12-14)16(13-18-17-6-7-17)8-9-20-11-10-19-2/h3-5,12,16-18H,6-11,13H2,1-2H3
InChIKeyZVEFTDQAGISDBS-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
1-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
CID 79422736

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine (CID 79417115) is N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine is COCCOCCC(CNC1CC1)c1cccc(C)c1.
What is the InChIKey of N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine?
The InChIKey is ZVEFTDQAGISDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-4-3-5-15(12-14)16(13-18-17-6-7-17)8-9-20-11-10-19-2/h3-5,12,16-18H,6-11,13H2,1-2H3.
What are the key properties of N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine?
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 79417115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).