1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine

C12H15ClIN — CID 103215566

IUPAC1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine
SMILESNC(CCC1CC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H15ClIN/c13-10-7-9(4-5-11(10)14)12(15)6-3-8-1-2-8/h4-5,7-8,12H,1-3,6,15H2
InChIKeyKWRSLURUVHMMAX-UHFFFAOYSA-N
MW335.62 g/mol
LogP4.13
Rot. Bonds4

About 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine

1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine (PubChem CID 103215566) has the molecular formula C12H15ClIN and a molecular weight of 335.62 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine
PubChem CID103215566
Molecular FormulaC12H15ClIN
Molecular Weight335.62 g/mol
Exact Mass334.99
IUPAC Name1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine
SMILESNC(CCC1CC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H15ClIN/c13-10-7-9(4-5-11(10)14)12(15)6-3-8-1-2-8/h4-5,7-8,12H,1-3,6,15H2
InChIKeyKWRSLURUVHMMAX-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 54.13
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

(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
1-(3-chloro-4-iodophenyl)decan-1-amine
CID 103214875
1-(3-chloro-4-iodophenyl)octan-1-amine
CID 103214882
1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
CID 103215445
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
CID 103215428
3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 43625227
3-cyclopentyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 43197405
(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol
CID 103216866
(3-chloro-4-iodophenyl)-(oxan-4-yl)methanamine
CID 103215273
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
CID 103216838

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine (CID 103215566) is 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine is NC(CCC1CC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine?
The InChIKey is KWRSLURUVHMMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClIN/c13-10-7-9(4-5-11(10)14)12(15)6-3-8-1-2-8/h4-5,7-8,12H,1-3,6,15H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine?
1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine has a molecular weight of 335.62 g/mol, XLogP of 4.13, 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)-3-cyclopropylpropan-1-amine is sourced from PubChem (CID 103215566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).