1-(3,4-dimethylphenyl)ethanamine

C10H15N — CID 5086468

IUPAC1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1C
InChIInChI=1S/C10H15N/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9H,11H2,1-3H3
InChIKeyPMUVPGYHXWUERM-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.32
Rot. Bonds1

About 1-(3,4-dimethylphenyl)ethanamine

1-(3,4-dimethylphenyl)ethanamine (PubChem CID 5086468) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)ethanamine
PubChem CID5086468
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1C
InChIInChI=1S/C10H15N/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9H,11H2,1-3H3
InChIKeyPMUVPGYHXWUERM-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)ethanamine (CID 5086468) is 1-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)N)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)ethanamine?
The InChIKey is PMUVPGYHXWUERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9H,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)ethanamine?
1-(3,4-dimethylphenyl)ethanamine has a molecular weight of 149.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 5086468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).