2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine

C16H26IN — CID 65491309

IUPAC2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C16H26IN/c1-5-16(6-2,12-18-13(3)4)11-14-7-9-15(17)10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyBPHVELDCAOOYJV-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.64
Rot. Bonds7

About 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine

2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 65491309) has the molecular formula C16H26IN and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID65491309
Molecular FormulaC16H26IN
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C16H26IN/c1-5-16(6-2,12-18-13(3)4)11-14-7-9-15(17)10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyBPHVELDCAOOYJV-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-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

2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
CID 63509501
1-[2-(chloromethyl)-2-ethylbutyl]-4-iodobenzene
CID 66034492
2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 63508982
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
2-ethyl-2-[(4-iodophenyl)methyl]-N-methylhexan-1-amine
CID 65489923
1-[2,2-bis(chloromethyl)-4-methylpentyl]-4-iodobenzene
CID 79447299
2-[(4-iodophenyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139224
2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 62724741
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 65489905
2-ethyl-2-[(4-iodophenyl)methyl]butanoic acid
CID 65479075
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222
2,2-diethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228777

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine (CID 65491309) is 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine is CCC(CC)(CNC(C)C)Cc1ccc(I)cc1.
What is the InChIKey of 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is BPHVELDCAOOYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN/c1-5-16(6-2,12-18-13(3)4)11-14-7-9-15(17)10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine?
2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 359.30 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65491309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).