N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine

C16H23NO2 — CID 62443056

IUPACN-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESC=CCCOCCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-10-18-11-12-19-16-8-4-14(5-9-16)13-17-15-6-7-15/h2,4-5,8-9,15,17H,1,3,6-7,10-13H2
InChIKeyYLZQKQAMDLQBAD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds10

About N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine

N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 62443056) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
PubChem CID62443056
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESC=CCCOCCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-10-18-11-12-19-16-8-4-14(5-9-16)13-17-15-6-7-15/h2,4-5,8-9,15,17H,1,3,6-7,10-13H2
InChIKeyYLZQKQAMDLQBAD-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 106205858
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[(4-prop-2-enoxyphenyl)methyl]thian-4-amine
CID 115615614
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[[4-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106704511
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
CID 107006334
N-[(4-hept-6-enylsulfanylphenyl)methyl]cyclopropanamine
CID 107010315

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine (CID 62443056) is N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine is C=CCCOCCOc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is YLZQKQAMDLQBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-10-18-11-12-19-16-8-4-14(5-9-16)13-17-15-6-7-15/h2,4-5,8-9,15,17H,1,3,6-7,10-13H2.
What are the key properties of N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine?
N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62443056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).