1-(4-methylphenyl)ethanamine

C9H13N — CID 577386

IUPAC1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1
InChIInChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
InChIKeyUZDDXUMOXKDXNE-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.01
Rot. Bonds1

About 1-(4-methylphenyl)ethanamine

1-(4-methylphenyl)ethanamine (PubChem CID 577386) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)ethanamine
PubChem CID577386
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1
InChIInChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
InChIKeyUZDDXUMOXKDXNE-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-methylphenyl)ethanamine (CID 577386) is 1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)N)cc1.
What is the InChIKey of 1-(4-methylphenyl)ethanamine?
The InChIKey is UZDDXUMOXKDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)ethanamine?
1-(4-methylphenyl)ethanamine has a molecular weight of 135.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 577386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).