N-ethyl-1-(2-iodophenyl)decan-1-amine

C18H30IN — CID 115831642

IUPACN-ethyl-1-(2-iodophenyl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1ccccc1I
InChIInChI=1S/C18H30IN/c1-3-5-6-7-8-9-10-15-18(20-4-2)16-13-11-12-14-17(16)19/h11-14,18,20H,3-10,15H2,1-2H3
InChIKeyUOAJVTTWLPKBEW-UHFFFAOYSA-N
MW387.35 g/mol
LogP6.08
Rot. Bonds11

About N-ethyl-1-(2-iodophenyl)decan-1-amine

N-ethyl-1-(2-iodophenyl)decan-1-amine (PubChem CID 115831642) has the molecular formula C18H30IN and a molecular weight of 387.35 g/mol. Its IUPAC name is N-ethyl-1-(2-iodophenyl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-iodophenyl)decan-1-amine
PubChem CID115831642
Molecular FormulaC18H30IN
Molecular Weight387.35 g/mol
Exact Mass387.14
IUPAC NameN-ethyl-1-(2-iodophenyl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1ccccc1I
InChIInChI=1S/C18H30IN/c1-3-5-6-7-8-9-10-15-18(20-4-2)16-13-11-12-14-17(16)19/h11-14,18,20H,3-10,15H2,1-2H3
InChIKeyUOAJVTTWLPKBEW-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.35
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(2-iodophenyl)decan-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

1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine
CID 105033956
N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
CID 104992817
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2-bromo-3-methylphenyl)-N-ethylheptan-1-amine
CID 114024193
N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
CID 106857211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-iodophenyl)decan-1-amine?
The IUPAC name of N-ethyl-1-(2-iodophenyl)decan-1-amine (CID 115831642) is N-ethyl-1-(2-iodophenyl)decan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-iodophenyl)decan-1-amine?
The canonical SMILES for N-ethyl-1-(2-iodophenyl)decan-1-amine is CCCCCCCCCC(NCC)c1ccccc1I.
What is the InChIKey of N-ethyl-1-(2-iodophenyl)decan-1-amine?
The InChIKey is UOAJVTTWLPKBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30IN/c1-3-5-6-7-8-9-10-15-18(20-4-2)16-13-11-12-14-17(16)19/h11-14,18,20H,3-10,15H2,1-2H3.
What are the key properties of N-ethyl-1-(2-iodophenyl)decan-1-amine?
N-ethyl-1-(2-iodophenyl)decan-1-amine has a molecular weight of 387.35 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-iodophenyl)decan-1-amine is sourced from PubChem (CID 115831642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).