N-(2-butoxyethyl)-2-chloro-4-iodoaniline

C12H17ClINO — CID 107606504

IUPACN-(2-butoxyethyl)-2-chloro-4-iodoaniline
SMILESCCCCOCCNc1ccc(I)cc1Cl
InChIInChI=1S/C12H17ClINO/c1-2-3-7-16-8-6-15-12-5-4-10(14)9-11(12)13/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyAQRYCICZZCFKPE-UHFFFAOYSA-N
MW353.63 g/mol
LogP4.17
Rot. Bonds7

About N-(2-butoxyethyl)-2-chloro-4-iodoaniline

N-(2-butoxyethyl)-2-chloro-4-iodoaniline (PubChem CID 107606504) has the molecular formula C12H17ClINO and a molecular weight of 353.63 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-chloro-4-iodoaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-chloro-4-iodoaniline
PubChem CID107606504
Molecular FormulaC12H17ClINO
Molecular Weight353.63 g/mol
Exact Mass353.00
IUPAC NameN-(2-butoxyethyl)-2-chloro-4-iodoaniline
SMILESCCCCOCCNc1ccc(I)cc1Cl
InChIInChI=1S/C12H17ClINO/c1-2-3-7-16-8-6-15-12-5-4-10(14)9-11(12)13/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyAQRYCICZZCFKPE-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.63
LogP ≤ 54.17
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-butyl-2-chloro-4-iodoaniline
CID 43733829
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523
2-chloro-4-iodo-N-octylaniline
CID 63445374
4-(2-butoxyethylamino)-3-chlorobenzenecarbothioamide
CID 55182191
2-chloro-N-(2-pentoxyethyl)aniline
CID 62583761
2-chloro-4-fluoro-N-(2-propoxyethyl)aniline
CID 106451563
N-(2-butoxyethyl)-3-chloro-2-methylaniline
CID 61482959
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
2-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
2-bromo-N-(2-butoxyethyl)-4-fluoroaniline
CID 61483215
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-chloro-4-iodoaniline?
The IUPAC name of N-(2-butoxyethyl)-2-chloro-4-iodoaniline (CID 107606504) is N-(2-butoxyethyl)-2-chloro-4-iodoaniline.
What is the SMILES notation for N-(2-butoxyethyl)-2-chloro-4-iodoaniline?
The canonical SMILES for N-(2-butoxyethyl)-2-chloro-4-iodoaniline is CCCCOCCNc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-butoxyethyl)-2-chloro-4-iodoaniline?
The InChIKey is AQRYCICZZCFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClINO/c1-2-3-7-16-8-6-15-12-5-4-10(14)9-11(12)13/h4-5,9,15H,2-3,6-8H2,1H3.
What are the key properties of N-(2-butoxyethyl)-2-chloro-4-iodoaniline?
N-(2-butoxyethyl)-2-chloro-4-iodoaniline has a molecular weight of 353.63 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-chloro-4-iodoaniline is sourced from PubChem (CID 107606504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).