N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine

C16H23NO2 — CID 79347726

IUPACN-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCOc1cccc(C=CCNC2CC2)c1OC(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)19-16-13(6-4-8-15(16)18-3)7-5-11-17-14-9-10-14/h4-8,12,14,17H,9-11H2,1-3H3
InChIKeyHWKJLICRWGSJEA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds7

About N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine

N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine (PubChem CID 79347726) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
PubChem CID79347726
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCOc1cccc(C=CCNC2CC2)c1OC(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)19-16-13(6-4-8-15(16)18-3)7-5-11-17-14-9-10-14/h4-8,12,14,17H,9-11H2,1-3H3
InChIKeyHWKJLICRWGSJEA-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 120509651
N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
CID 79346738
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124263
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79323028
1-[2-(bromomethyl)-3-methylbut-1-enyl]-3-methoxy-2-propan-2-yloxybenzene
CID 79323643
3-(3-methoxy-2-propan-2-yloxyphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340211
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-(1-cyclopropylethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 75129047

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine (CID 79347726) is N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine is COc1cccc(C=CCNC2CC2)c1OC(C)C.
What is the InChIKey of N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine?
The InChIKey is HWKJLICRWGSJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)19-16-13(6-4-8-15(16)18-3)7-5-11-17-14-9-10-14/h4-8,12,14,17H,9-11H2,1-3H3.
What are the key properties of N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine?
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79347726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).