N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine

C17H25NO2 — CID 62387770

IUPACN-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine
SMILESC=CC(C)Oc1cc(OCCC)ccc1CNC1CC1
InChIInChI=1S/C17H25NO2/c1-4-10-19-16-9-6-14(12-18-15-7-8-15)17(11-16)20-13(3)5-2/h5-6,9,11,13,15,18H,2,4,7-8,10,12H2,1,3H3
InChIKeyTXQHQKJNZMYKJA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.68
Rot. Bonds9

About N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine

N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine (PubChem CID 62387770) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine
PubChem CID62387770
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine
SMILESC=CC(C)Oc1cc(OCCC)ccc1CNC1CC1
InChIInChI=1S/C17H25NO2/c1-4-10-19-16-9-6-14(12-18-15-7-8-15)17(11-16)20-13(3)5-2/h5-6,9,11,13,15,18H,2,4,7-8,10,12H2,1,3H3
InChIKeyTXQHQKJNZMYKJA-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine
CID 63062478
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
CID 43472532
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide
CID 43472100
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine (CID 62387770) is N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine is C=CC(C)Oc1cc(OCCC)ccc1CNC1CC1.
What is the InChIKey of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine?
The InChIKey is TXQHQKJNZMYKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-10-19-16-9-6-14(12-18-15-7-8-15)17(11-16)20-13(3)5-2/h5-6,9,11,13,15,18H,2,4,7-8,10,12H2,1,3H3.
What are the key properties of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine?
N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 62387770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).