2-chloro-N-(3-ethoxypropyl)-4-iodoaniline

C11H15ClINO — CID 107606523

IUPAC2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
SMILESCCOCCCNc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClINO/c1-2-15-7-3-6-14-11-5-4-9(13)8-10(11)12/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyFHZJKDVPGGNZSZ-UHFFFAOYSA-N
MW339.60 g/mol
LogP3.78
Rot. Bonds6

About 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline

2-chloro-N-(3-ethoxypropyl)-4-iodoaniline (PubChem CID 107606523) has the molecular formula C11H15ClINO and a molecular weight of 339.60 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
PubChem CID107606523
Molecular FormulaC11H15ClINO
Molecular Weight339.60 g/mol
Exact Mass338.99
IUPAC Name2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
SMILESCCOCCCNc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClINO/c1-2-15-7-3-6-14-11-5-4-9(13)8-10(11)12/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyFHZJKDVPGGNZSZ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-2-chloro-4-iodoaniline
CID 107606504
N-butyl-2-chloro-4-iodoaniline
CID 43733829
2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
CID 65175214
2-chloro-4-iodo-N-octylaniline
CID 63445374
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
4-chloro-1-N-(3-ethoxypropyl)benzene-1,2-diamine
CID 28904711
N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
CID 79769660
2-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
N-(3-ethoxypropyl)-2-iodoaniline
CID 65175161
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213
2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116501073
2-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-iodoaniline
CID 63445412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline?
The IUPAC name of 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline (CID 107606523) is 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline?
The canonical SMILES for 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline is CCOCCCNc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline?
The InChIKey is FHZJKDVPGGNZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClINO/c1-2-15-7-3-6-14-11-5-4-9(13)8-10(11)12/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline?
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline has a molecular weight of 339.60 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxypropyl)-4-iodoaniline is sourced from PubChem (CID 107606523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).