(1S)-1-(3-chlorophenyl)ethanamine

C8H10ClN — CID 2507691

IUPAC(1S)-1-(3-chlorophenyl)ethanamine
SMILESC[C@H](N)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKeyDQEYVZASLGNODG-LURJTMIESA-N
MW155.63 g/mol
LogP2.36
Rot. Bonds1

About (1S)-1-(3-chlorophenyl)ethanamine

(1S)-1-(3-chlorophenyl)ethanamine (PubChem CID 2507691) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)ethanamine
PubChem CID2507691
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(1S)-1-(3-chlorophenyl)ethanamine
SMILESC[C@H](N)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKeyDQEYVZASLGNODG-LURJTMIESA-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 (1S)-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)ethanamine (CID 2507691) is (1S)-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)ethanamine is C[C@H](N)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)ethanamine?
The InChIKey is DQEYVZASLGNODG-LURJTMIESA-N. The full InChI is InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)ethanamine?
(1S)-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 (1S)-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 2507691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).