1-cyclopropyl-1-(3-methoxyphenyl)ethanamine

C12H17NO — CID 82236080

IUPAC1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)(N)C2CC2)c1
InChIInChI=1S/C12H17NO/c1-12(13,9-6-7-9)10-4-3-5-11(8-10)14-2/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyJFKAWKUDZYEHIW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds3

About 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine

1-cyclopropyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 82236080) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
PubChem CID82236080
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)(N)C2CC2)c1
InChIInChI=1S/C12H17NO/c1-12(13,9-6-7-9)10-4-3-5-11(8-10)14-2/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyJFKAWKUDZYEHIW-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
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(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
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CID 116841600
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62787473
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine (CID 82236080) is 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)(N)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is JFKAWKUDZYEHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(13,9-6-7-9)10-4-3-5-11(8-10)14-2/h3-5,8-9H,6-7,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82236080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).