1-(3-chloro-4-iodophenyl)pent-4-en-1-amine

C11H13ClIN — CID 103215445

IUPAC1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClIN/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h2,5-7,11H,1,3-4,14H2
InChIKeyABCUUSARJWDXJY-UHFFFAOYSA-N
MW321.59 g/mol
LogP3.91
Rot. Bonds4

About 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine

1-(3-chloro-4-iodophenyl)pent-4-en-1-amine (PubChem CID 103215445) has the molecular formula C11H13ClIN and a molecular weight of 321.59 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
PubChem CID103215445
Molecular FormulaC11H13ClIN
Molecular Weight321.59 g/mol
Exact Mass320.98
IUPAC Name1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClIN/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h2,5-7,11H,1,3-4,14H2
InChIKeyABCUUSARJWDXJY-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
CID 171224819
1-(3-chloro-4-iodophenyl)decan-1-amine
CID 103214875
1-(3-chloro-4-iodophenyl)octan-1-amine
CID 103214882
4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205248
1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine
CID 103215566
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine (CID 103215445) is 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine is C=CCCC(N)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine?
The InChIKey is ABCUUSARJWDXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClIN/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h2,5-7,11H,1,3-4,14H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine?
1-(3-chloro-4-iodophenyl)pent-4-en-1-amine has a molecular weight of 321.59 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)pent-4-en-1-amine is sourced from PubChem (CID 103215445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).