2-amino-2-(4-chlorophenyl)propanal

C9H10ClNO — CID 174641123

IUPAC2-amino-2-(4-chlorophenyl)propanal
SMILESCC(N)(C=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-9(11,6-12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3
InChIKeyZIMOAZXFYHNYNJ-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.71
Rot. Bonds2

About 2-amino-2-(4-chlorophenyl)propanal

2-amino-2-(4-chlorophenyl)propanal (PubChem CID 174641123) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)propanal.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)propanal
PubChem CID174641123
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-amino-2-(4-chlorophenyl)propanal
SMILESCC(N)(C=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-9(11,6-12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3
InChIKeyZIMOAZXFYHNYNJ-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 23370677
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1-chloro-4-(2,2,3,4,4-pentamethylpentan-3-yl)benzene
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1-chloro-4-(2-isocyanatopropan-2-yl)benzene
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2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
1,4-dichlorobenzene;formyl chloride
CID 174264230
(4R)-4-(4-chlorophenyl)-4-methylhexanal
CID 164682800
1-(4-chlorophenyl)-1-(2-methylphenyl)ethanamine
CID 60798734
1-N-[(4-chlorophenyl)methyl]-2-methylpropane-1,2-diamine
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2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)propanal?
The IUPAC name of 2-amino-2-(4-chlorophenyl)propanal (CID 174641123) is 2-amino-2-(4-chlorophenyl)propanal.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)propanal?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)propanal is CC(N)(C=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)propanal?
The InChIKey is ZIMOAZXFYHNYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-9(11,6-12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3.
What are the key properties of 2-amino-2-(4-chlorophenyl)propanal?
2-amino-2-(4-chlorophenyl)propanal has a molecular weight of 183.64 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)propanal is sourced from PubChem (CID 174641123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).