3-(2-chloro-4-iodophenyl)cyclopentan-1-amine

C11H13ClIN — CID 130045782

IUPAC3-(2-chloro-4-iodophenyl)cyclopentan-1-amine
SMILESNC1CCC(c2ccc(I)cc2Cl)C1
InChIInChI=1S/C11H13ClIN/c12-11-6-8(13)2-4-10(11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2
InChIKeyUBKAZKGMLXKFMW-UHFFFAOYSA-N
MW321.59 g/mol
LogP3.54
Rot. Bonds1

About 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine

3-(2-chloro-4-iodophenyl)cyclopentan-1-amine (PubChem CID 130045782) has the molecular formula C11H13ClIN and a molecular weight of 321.59 g/mol. Its IUPAC name is 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-iodophenyl)cyclopentan-1-amine
PubChem CID130045782
Molecular FormulaC11H13ClIN
Molecular Weight321.59 g/mol
Exact Mass320.98
IUPAC Name3-(2-chloro-4-iodophenyl)cyclopentan-1-amine
SMILESNC1CCC(c2ccc(I)cc2Cl)C1
InChIInChI=1S/C11H13ClIN/c12-11-6-8(13)2-4-10(11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2
InChIKeyUBKAZKGMLXKFMW-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.59
LogP ≤ 53.54
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

4-(3-aminocyclopentyl)-3-chlorophenol
CID 130045784
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134
2-(3-aminocyclopentyl)-5-chlorophenol
CID 130045818
trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride
CID 118994206
2-amino-4-(2-chloro-4-fluorophenyl)cyclohexan-1-ol
CID 58076707
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
3-(3-aminocyclopentyl)-2-methylaniline
CID 130045674
2-bromo-1-cyclopropyl-4-iodobenzene
CID 12509358
3-(2,6-dichloro-4-pyridinyl)cyclopentan-1-amine
CID 130045839
3-(3-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 130045679
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
3-(3-bromophenyl)cyclopentan-1-amine
CID 82129934

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine?
The IUPAC name of 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine (CID 130045782) is 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine?
The canonical SMILES for 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine is NC1CCC(c2ccc(I)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine?
The InChIKey is UBKAZKGMLXKFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClIN/c12-11-6-8(13)2-4-10(11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2.
What are the key properties of 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine?
3-(2-chloro-4-iodophenyl)cyclopentan-1-amine has a molecular weight of 321.59 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-iodophenyl)cyclopentan-1-amine is sourced from PubChem (CID 130045782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).