1-(3-chlorophenyl)ethanamine

C8H10ClN — CID 5006170

IUPAC1-(3-chlorophenyl)ethanamine
SMILESCC(N)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKeyDQEYVZASLGNODG-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.36
Rot. Bonds1

About 1-(3-chlorophenyl)ethanamine

1-(3-chlorophenyl)ethanamine (PubChem CID 5006170) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)ethanamine
PubChem CID5006170
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name1-(3-chlorophenyl)ethanamine
SMILESCC(N)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKeyDQEYVZASLGNODG-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)ethanamine (CID 5006170) is 1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)ethanamine is CC(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)ethanamine?
The InChIKey is DQEYVZASLGNODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)ethanamine?
1-(3-chlorophenyl)ethanamine has a molecular weight of 155.63 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 5006170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).