N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine

C17H28N2O2 — CID 63009386

IUPACN-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCN(C)CCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-19(10-3-12-20-2)11-13-21-17-8-4-15(5-9-17)14-18-16-6-7-16/h4-5,8-9,16,18H,3,6-7,10-14H2,1-2H3
InChIKeyVPGYKOPMNYWSDL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.29
Rot. Bonds11

About N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine

N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 63009386) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID63009386
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCN(C)CCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-19(10-3-12-20-2)11-13-21-17-8-4-15(5-9-17)14-18-16-6-7-16/h4-5,8-9,16,18H,3,6-7,10-14H2,1-2H3
InChIKeyVPGYKOPMNYWSDL-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
CID 63007403
N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009926
N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
CID 119110630
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 55139542

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (CID 63009386) is N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is COCCCN(C)CCOc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is VPGYKOPMNYWSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(10-3-12-20-2)11-13-21-17-8-4-15(5-9-17)14-18-16-6-7-16/h4-5,8-9,16,18H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 292.42 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63009386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).