1-cyclopropyl-2-(3-methylphenyl)ethanamine

C12H17N — CID 54594185

IUPAC1-cyclopropyl-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)C2CC2)c1
InChIInChI=1S/C12H17N/c1-9-3-2-4-10(7-9)8-12(13)11-5-6-11/h2-4,7,11-12H,5-6,8,13H2,1H3
InChIKeyUUOFPYZAPDEVGZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.27
Rot. Bonds3

About 1-cyclopropyl-2-(3-methylphenyl)ethanamine

1-cyclopropyl-2-(3-methylphenyl)ethanamine (PubChem CID 54594185) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylphenyl)ethanamine
PubChem CID54594185
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-cyclopropyl-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)C2CC2)c1
InChIInChI=1S/C12H17N/c1-9-3-2-4-10(7-9)8-12(13)11-5-6-11/h2-4,7,11-12H,5-6,8,13H2,1H3
InChIKeyUUOFPYZAPDEVGZ-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
1-(3-bromo-2-cyclopropylpropyl)-3-methylbenzene
CID 104819634
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methylphenyl)ethanamine
CID 64984380
2-(3-methylphenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908437
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
2-(3-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63247283
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
CID 69076107

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)ethanamine (CID 54594185) is 1-cyclopropyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylphenyl)ethanamine?
The InChIKey is UUOFPYZAPDEVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-3-2-4-10(7-9)8-12(13)11-5-6-11/h2-4,7,11-12H,5-6,8,13H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methylphenyl)ethanamine?
1-cyclopropyl-2-(3-methylphenyl)ethanamine has a molecular weight of 175.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 54594185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).