(1S)-1-(2,4-dichlorophenyl)ethanamine

C8H9Cl2N — CID 2496562

IUPAC(1S)-1-(2,4-dichlorophenyl)ethanamine
SMILESC[C@H](N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
InChIKeyOUVZHZAOWDHBOU-YFKPBYRVSA-N
MW190.07 g/mol
LogP3.01
Rot. Bonds1

About (1S)-1-(2,4-dichlorophenyl)ethanamine

(1S)-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 2496562) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)ethanamine
PubChem CID2496562
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name(1S)-1-(2,4-dichlorophenyl)ethanamine
SMILESC[C@H](N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
InChIKeyOUVZHZAOWDHBOU-YFKPBYRVSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine
CID 82822411
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
2-(2,4-dichlorophenyl)hexan-3-amine
CID 83048374

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)ethanamine (CID 2496562) is (1S)-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)ethanamine is C[C@H](N)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is OUVZHZAOWDHBOU-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)ethanamine?
(1S)-1-(2,4-dichlorophenyl)ethanamine has a molecular weight of 190.07 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 2496562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).