4-(4-chloro-3-iodophenyl)butan-2-amine

C10H13ClIN — CID 130054291

IUPAC4-(4-chloro-3-iodophenyl)butan-2-amine
SMILESCC(N)CCc1ccc(Cl)c(I)c1
InChIInChI=1S/C10H13ClIN/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-7H,2-3,13H2,1H3
InChIKeyRVCMIHBCRATEIF-UHFFFAOYSA-N
MW309.58 g/mol
LogP3.22
Rot. Bonds3

About 4-(4-chloro-3-iodophenyl)butan-2-amine

4-(4-chloro-3-iodophenyl)butan-2-amine (PubChem CID 130054291) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is 4-(4-chloro-3-iodophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-iodophenyl)butan-2-amine
PubChem CID130054291
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC Name4-(4-chloro-3-iodophenyl)butan-2-amine
SMILESCC(N)CCc1ccc(Cl)c(I)c1
InChIInChI=1S/C10H13ClIN/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-7H,2-3,13H2,1H3
InChIKeyRVCMIHBCRATEIF-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 53.22
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

(2S)-4-(4-chloro-3-iodophenyl)butan-2-amine
CID 130700348
4-(4-chloro-3-methylphenyl)butan-2-amine
CID 130054284
4-[(3R)-3-aminobutyl]-2-iodophenol
CID 131145873
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
5-(4-chloro-3-methylphenyl)pentan-2-amine
CID 83937390
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
4-(3-bromopropyl)-1-chloro-2-iodobenzene
CID 118818875
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-iodophenyl)butan-2-amine?
The IUPAC name of 4-(4-chloro-3-iodophenyl)butan-2-amine (CID 130054291) is 4-(4-chloro-3-iodophenyl)butan-2-amine.
What is the SMILES notation for 4-(4-chloro-3-iodophenyl)butan-2-amine?
The canonical SMILES for 4-(4-chloro-3-iodophenyl)butan-2-amine is CC(N)CCc1ccc(Cl)c(I)c1.
What is the InChIKey of 4-(4-chloro-3-iodophenyl)butan-2-amine?
The InChIKey is RVCMIHBCRATEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-7H,2-3,13H2,1H3.
What are the key properties of 4-(4-chloro-3-iodophenyl)butan-2-amine?
4-(4-chloro-3-iodophenyl)butan-2-amine has a molecular weight of 309.58 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-iodophenyl)butan-2-amine is sourced from PubChem (CID 130054291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).