1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine

C12H15ClIN — CID 103215428

IUPAC1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H15ClIN/c1-15-12(6-8-2-3-8)9-4-5-11(14)10(13)7-9/h4-5,7-8,12,15H,2-3,6H2,1H3
InChIKeyZHQARTKIAQRZFO-UHFFFAOYSA-N
MW335.62 g/mol
LogP4.01
Rot. Bonds4

About 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine

1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine (PubChem CID 103215428) has the molecular formula C12H15ClIN and a molecular weight of 335.62 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
PubChem CID103215428
Molecular FormulaC12H15ClIN
Molecular Weight335.62 g/mol
Exact Mass334.99
IUPAC Name1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H15ClIN/c1-15-12(6-8-2-3-8)9-4-5-11(14)10(13)7-9/h4-5,7-8,12,15H,2-3,6H2,1H3
InChIKeyZHQARTKIAQRZFO-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 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 ≤ 54.01
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

1-(3-chloro-4-iodophenyl)-2-cyclobutyl-N-methylethanamine
CID 103215395
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
1-(3-chloro-4-iodophenyl)-N-methylbut-3-yn-1-amine
CID 103214490
1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
CID 103216838
(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol
CID 103216866
1-(3-chloro-4-iodophenyl)-4-methoxy-N-methylbutan-1-amine
CID 103216498
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
N-[(3-chloro-4-iodophenyl)-cycloheptylmethyl]ethanamine
CID 103216098
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
1-(3-chloro-4-iodophenyl)-N-methylhex-5-yn-1-amine
CID 103216178
1-(3-chloro-4-iodophenyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106866324

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine (CID 103215428) is 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine is CNC(CC1CC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine?
The InChIKey is ZHQARTKIAQRZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClIN/c1-15-12(6-8-2-3-8)9-4-5-11(14)10(13)7-9/h4-5,7-8,12,15H,2-3,6H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine?
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine has a molecular weight of 335.62 g/mol, XLogP of 4.01, 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)-2-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 103215428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).