N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine

C16H23NO2 — CID 112519317

IUPACN-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
SMILESCOc1cc(C)c(C2(CNC3CC3)CC2)cc1OC
InChIInChI=1S/C16H23NO2/c1-11-8-14(18-2)15(19-3)9-13(11)16(6-7-16)10-17-12-4-5-12/h8-9,12,17H,4-7,10H2,1-3H3
InChIKeyPOWPSWMWOSNTPK-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.80
Rot. Bonds6

About N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine

N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 112519317) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
PubChem CID112519317
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
SMILESCOc1cc(C)c(C2(CNC3CC3)CC2)cc1OC
InChIInChI=1S/C16H23NO2/c1-11-8-14(18-2)15(19-3)9-13(11)16(6-7-16)10-17-12-4-5-12/h8-9,12,17H,4-7,10H2,1-3H3
InChIKeyPOWPSWMWOSNTPK-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine (CID 112519317) is N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine is COc1cc(C)c(C2(CNC3CC3)CC2)cc1OC.
What is the InChIKey of N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is POWPSWMWOSNTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-14(18-2)15(19-3)9-13(11)16(6-7-16)10-17-12-4-5-12/h8-9,12,17H,4-7,10H2,1-3H3.
What are the key properties of N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine?
N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 261.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 112519317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).