N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine

C17H27NO2 — CID 61481281

IUPACN-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCCC(C)(C)C)c(CNC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-17(2,3)9-10-20-16-8-7-15(19-4)11-13(16)12-18-14-5-6-14/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3
InChIKeyCGEHNVJBNCSYMA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds7

About N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine

N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 61481281) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
PubChem CID61481281
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(OCCC(C)(C)C)c(CNC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-17(2,3)9-10-20-16-8-7-15(19-4)11-13(16)12-18-14-5-6-14/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3
InChIKeyCGEHNVJBNCSYMA-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61485354
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine (CID 61481281) is N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine is COc1ccc(OCCC(C)(C)C)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is CGEHNVJBNCSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)9-10-20-16-8-7-15(19-4)11-13(16)12-18-14-5-6-14/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine?
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61481281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).