N-butyl-2-chloro-4-iodoaniline

C10H13ClIN — CID 43733829

IUPACN-butyl-2-chloro-4-iodoaniline
SMILESCCCCNc1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-2-3-6-13-10-5-4-8(12)7-9(10)11/h4-5,7,13H,2-3,6H2,1H3
InChIKeyMQXBIWJXRRRCHE-UHFFFAOYSA-N
MW309.58 g/mol
LogP4.16
Rot. Bonds4

About N-butyl-2-chloro-4-iodoaniline

N-butyl-2-chloro-4-iodoaniline (PubChem CID 43733829) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is N-butyl-2-chloro-4-iodoaniline.

Molecular Properties

Compound NameN-butyl-2-chloro-4-iodoaniline
PubChem CID43733829
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC NameN-butyl-2-chloro-4-iodoaniline
SMILESCCCCNc1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-2-3-6-13-10-5-4-8(12)7-9(10)11/h4-5,7,13H,2-3,6H2,1H3
InChIKeyMQXBIWJXRRRCHE-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 54.16
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'}

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Related Compounds

2-chloro-4-iodo-N-octylaniline
CID 63445374
N-(2-butoxyethyl)-2-chloro-4-iodoaniline
CID 107606504
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
N-butyl-4-chloro-2-iodoaniline
CID 107632190
2,4-dichloro-N-decylaniline
CID 63489638
2-chloro-N-decyl-4-methylaniline
CID 63489010
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
4-(butylamino)-3-chlorobenzenecarbothioamide
CID 63088934
2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
CID 107606595
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-iodoaniline
CID 43788803

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-iodoaniline?
The IUPAC name of N-butyl-2-chloro-4-iodoaniline (CID 43733829) is N-butyl-2-chloro-4-iodoaniline.
What is the SMILES notation for N-butyl-2-chloro-4-iodoaniline?
The canonical SMILES for N-butyl-2-chloro-4-iodoaniline is CCCCNc1ccc(I)cc1Cl.
What is the InChIKey of N-butyl-2-chloro-4-iodoaniline?
The InChIKey is MQXBIWJXRRRCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN/c1-2-3-6-13-10-5-4-8(12)7-9(10)11/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of N-butyl-2-chloro-4-iodoaniline?
N-butyl-2-chloro-4-iodoaniline has a molecular weight of 309.58 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-iodoaniline is sourced from PubChem (CID 43733829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).