N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine

C15H21NO — CID 77011503

IUPACN-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
SMILESCC=CCOc1ccc(C)cc1CNC1CC1
InChIInChI=1S/C15H21NO/c1-3-4-9-17-15-8-5-12(2)10-13(15)11-16-14-6-7-14/h3-5,8,10,14,16H,6-7,9,11H2,1-2H3
InChIKeySJMDQZYTBIBLLA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.20
Rot. Bonds6

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

N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine (PubChem CID 77011503) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
PubChem CID77011503
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
SMILESCC=CCOc1ccc(C)cc1CNC1CC1
InChIInChI=1S/C15H21NO/c1-3-4-9-17-15-8-5-12(2)10-13(15)11-16-14-6-7-14/h3-5,8,10,14,16H,6-7,9,11H2,1-2H3
InChIKeySJMDQZYTBIBLLA-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
N-[[4-[(E)-but-2-enoxy]-3-ethoxyphenyl]methyl]cyclopropanamine
CID 60881654
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
CID 171620477
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
CID 63326550
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63326800
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine (CID 77011503) is N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine is CC=CCOc1ccc(C)cc1CNC1CC1.
What is the InChIKey of N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine?
The InChIKey is SJMDQZYTBIBLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-9-17-15-8-5-12(2)10-13(15)11-16-14-6-7-14/h3-5,8,10,14,16H,6-7,9,11H2,1-2H3.
What are the key properties of N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine?
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 77011503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).