1-cyclopropyl-2-(4-methylphenyl)ethanamine

C12H17N — CID 60818816

IUPAC1-cyclopropyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)C2CC2)cc1
InChIInChI=1S/C12H17N/c1-9-2-4-10(5-3-9)8-12(13)11-6-7-11/h2-5,11-12H,6-8,13H2,1H3
InChIKeyRTZUWJSINYIGON-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.27
Rot. Bonds3

About 1-cyclopropyl-2-(4-methylphenyl)ethanamine

1-cyclopropyl-2-(4-methylphenyl)ethanamine (PubChem CID 60818816) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methylphenyl)ethanamine
PubChem CID60818816
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-cyclopropyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)C2CC2)cc1
InChIInChI=1S/C12H17N/c1-9-2-4-10(5-3-9)8-12(13)11-6-7-11/h2-5,11-12H,6-8,13H2,1H3
InChIKeyRTZUWJSINYIGON-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

2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404581
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
CID 69076107
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
1-(3-bromo-2-cyclopropylpropyl)-4-methylbenzene
CID 104819629
1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine
CID 145339871
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
1-cyclopentyl-2-phenylethanamine
CID 50988646

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(4-methylphenyl)ethanamine (CID 60818816) is 1-cyclopropyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(4-methylphenyl)ethanamine is Cc1ccc(CC(N)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-2-(4-methylphenyl)ethanamine?
The InChIKey is RTZUWJSINYIGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-2-4-10(5-3-9)8-12(13)11-6-7-11/h2-5,11-12H,6-8,13H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-methylphenyl)ethanamine?
1-cyclopropyl-2-(4-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-(4-methylphenyl)ethanamine is sourced from PubChem (CID 60818816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).