1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine

C16H17ClINO — CID 63459761

IUPAC1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccccc1I)c1ccccc1Cl
InChIInChI=1S/C16H17ClINO/c1-2-14(19)16(11-7-3-4-8-12(11)17)20-15-10-6-5-9-13(15)18/h3-10,14,16H,2,19H2,1H3
InChIKeyBMWFTBBMNNZXFJ-UHFFFAOYSA-N
MW401.68 g/mol
LogP4.80
Rot. Bonds5

About 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine

1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine (PubChem CID 63459761) has the molecular formula C16H17ClINO and a molecular weight of 401.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
PubChem CID63459761
Molecular FormulaC16H17ClINO
Molecular Weight401.68 g/mol
Exact Mass401.00
IUPAC Name1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccccc1I)c1ccccc1Cl
InChIInChI=1S/C16H17ClINO/c1-2-14(19)16(11-7-3-4-8-12(11)17)20-15-10-6-5-9-13(15)18/h3-10,14,16H,2,19H2,1H3
InChIKeyBMWFTBBMNNZXFJ-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294
1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
CID 63459898
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(3-bromophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459762
1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
CID 63460803
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
CID 103282985
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine
CID 63458600
1-chloro-2-[1-(2-methylphenoxy)propyl]benzene
CID 174455453
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine (CID 63459761) is 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine is CCC(N)C(Oc1ccccc1I)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine?
The InChIKey is BMWFTBBMNNZXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClINO/c1-2-14(19)16(11-7-3-4-8-12(11)17)20-15-10-6-5-9-13(15)18/h3-10,14,16H,2,19H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine?
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine has a molecular weight of 401.68 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine is sourced from PubChem (CID 63459761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).