1-(4-chloro-2-iodophenyl)propan-2-amine

C9H11ClIN — CID 130001695

IUPAC1-(4-chloro-2-iodophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1I
InChIInChI=1S/C9H11ClIN/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4,12H2,1H3
InChIKeyKOTNWLVZHNMQQS-UHFFFAOYSA-N
MW295.55 g/mol
LogP2.83
Rot. Bonds2

About 1-(4-chloro-2-iodophenyl)propan-2-amine

1-(4-chloro-2-iodophenyl)propan-2-amine (PubChem CID 130001695) has the molecular formula C9H11ClIN and a molecular weight of 295.55 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)propan-2-amine
PubChem CID130001695
Molecular FormulaC9H11ClIN
Molecular Weight295.55 g/mol
Exact Mass294.96
IUPAC Name1-(4-chloro-2-iodophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1I
InChIInChI=1S/C9H11ClIN/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4,12H2,1H3
InChIKeyKOTNWLVZHNMQQS-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropyl)-5-chlorophenol
CID 83697150
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
CID 131218490
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
4-[(2R)-2-aminopropyl]-3-iodobenzoic acid
CID 130607749
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)propan-2-amine (CID 130001695) is 1-(4-chloro-2-iodophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)propan-2-amine is CC(N)Cc1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)propan-2-amine?
The InChIKey is KOTNWLVZHNMQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 1-(4-chloro-2-iodophenyl)propan-2-amine?
1-(4-chloro-2-iodophenyl)propan-2-amine has a molecular weight of 295.55 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)propan-2-amine is sourced from PubChem (CID 130001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).