N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine

C15H21NO — CID 103066925

IUPACN-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ccccc1CC
InChIInChI=1S/C15H21NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyVJKSNGKMDDDJSS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds7

About N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103066925) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103066925
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ccccc1CC
InChIInChI=1S/C15H21NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyVJKSNGKMDDDJSS-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
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

[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 103067254
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066410
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62484643
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067234
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
N-cyclopropyl-N'-[(2-methoxyphenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069652
N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074981
2-(cyclopropylamino)-3-(2-ethylphenoxy)propan-1-ol
CID 64806250

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine (CID 103066925) is N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COc1ccccc1CC.
What is the InChIKey of N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is VJKSNGKMDDDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h4-7,14,16H,2-3,8-11H2,1H3.
What are the key properties of N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103066925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).