N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine

C16H23NO2 — CID 106929315

IUPACN-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCOCC2CC2)c(CNC2CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-2-7-16(19-11-18-10-13-3-4-13)14(8-12)9-17-15-5-6-15/h2,7-8,13,15,17H,3-6,9-11H2,1H3
InChIKeyAHVVEDMFXUIGCV-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.01
Rot. Bonds8

About N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine

N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine (PubChem CID 106929315) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
PubChem CID106929315
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCOCC2CC2)c(CNC2CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-2-7-16(19-11-18-10-13-3-4-13)14(8-12)9-17-15-5-6-15/h2,7-8,13,15,17H,3-6,9-11H2,1H3
InChIKeyAHVVEDMFXUIGCV-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-4-methylbenzene
CID 106929904
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
N-[[4-(cyclopropylmethoxymethoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 106929132
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
CID 63326550
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
2-(cyclopropylmethoxymethoxy)-4-methylaniline
CID 106928951
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 106929979
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine (CID 106929315) is N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine is Cc1ccc(OCOCC2CC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine?
The InChIKey is AHVVEDMFXUIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-2-7-16(19-11-18-10-13-3-4-13)14(8-12)9-17-15-5-6-15/h2,7-8,13,15,17H,3-6,9-11H2,1H3.
What are the key properties of N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine?
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine has a molecular weight of 261.36 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106929315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).