1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine

C12H17NO — CID 82281442

IUPAC1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
SMILESCCc1cc(C2(N)CC2)ccc1OC
InChIInChI=1S/C12H17NO/c1-3-9-8-10(12(13)6-7-12)4-5-11(9)14-2/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyHWERKQIOWJZOSX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.21
Rot. Bonds3

About 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine

1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine (PubChem CID 82281442) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
PubChem CID82281442
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
SMILESCCc1cc(C2(N)CC2)ccc1OC
InChIInChI=1S/C12H17NO/c1-3-9-8-10(12(13)6-7-12)4-5-11(9)14-2/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyHWERKQIOWJZOSX-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminocyclopropyl)-2-methoxyaniline
CID 55297586
5-(1-aminocyclopropyl)-2-methoxybenzaldehyde
CID 167171033
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119
1-(3,4-diethylphenyl)cyclobutan-1-amine
CID 117292089
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine
CID 84801514
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
[4-(3-ethyl-4-methoxyphenyl)piperidin-4-yl]methanol
CID 82480668
2-ethyl-4-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 82085813
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841836

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine (CID 82281442) is 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine is CCc1cc(C2(N)CC2)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is HWERKQIOWJZOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-9-8-10(12(13)6-7-12)4-5-11(9)14-2/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine?
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 82281442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).