2-chloro-N,N-diethyl-4-iodoaniline

C10H13ClIN — CID 107606923

IUPAC2-chloro-N,N-diethyl-4-iodoaniline
SMILESCCN(CC)c1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyVUWFUAMDUUTJEN-UHFFFAOYSA-N
MW309.58 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-N,N-diethyl-4-iodoaniline

2-chloro-N,N-diethyl-4-iodoaniline (PubChem CID 107606923) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-iodoaniline
PubChem CID107606923
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC Name2-chloro-N,N-diethyl-4-iodoaniline
SMILESCCN(CC)c1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyVUWFUAMDUUTJEN-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
2-chloro-1-ethyl-4-iodobenzene
CID 71044998
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083795
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482
4-chloro-N,N-diethyl-2-methylaniline
CID 57028815
(E)-3-[3-chloro-4-(diethylamino)phenyl]prop-2-enoic acid
CID 81155438
4-bromo-N-butyl-2-chloro-N-ethylaniline
CID 146004064
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199
4-bromo-2-chloro-N-ethyl-N-(2-methylprop-2-enyl)aniline
CID 146004073
1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 66064711
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-iodoaniline?
The IUPAC name of 2-chloro-N,N-diethyl-4-iodoaniline (CID 107606923) is 2-chloro-N,N-diethyl-4-iodoaniline.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-iodoaniline?
The canonical SMILES for 2-chloro-N,N-diethyl-4-iodoaniline is CCN(CC)c1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-iodoaniline?
The InChIKey is VUWFUAMDUUTJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-4-iodoaniline?
2-chloro-N,N-diethyl-4-iodoaniline has a molecular weight of 309.58 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-iodoaniline is sourced from PubChem (CID 107606923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).