4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline

C16H17ClINO2 — CID 107632180

IUPAC4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
SMILESCOc1ccc(OC)c(C(C)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C16H17ClINO2/c1-10(19-15-6-4-11(17)8-14(15)18)13-9-12(20-2)5-7-16(13)21-3/h4-10,19H,1-3H3
InChIKeyFUUJGDLMMNRLKY-UHFFFAOYSA-N
MW417.67 g/mol
LogP5.13
Rot. Bonds5

About 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline

4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline (PubChem CID 107632180) has the molecular formula C16H17ClINO2 and a molecular weight of 417.67 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
PubChem CID107632180
Molecular FormulaC16H17ClINO2
Molecular Weight417.67 g/mol
Exact Mass417.00
IUPAC Name4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
SMILESCOc1ccc(OC)c(C(C)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C16H17ClINO2/c1-10(19-15-6-4-11(17)8-14(15)18)13-9-12(20-2)5-7-16(13)21-3/h4-10,19H,1-3H3
InChIKeyFUUJGDLMMNRLKY-UHFFFAOYSA-N
XLogP5.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.67
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
CID 107632024
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline?
The IUPAC name of 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline (CID 107632180) is 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline?
The canonical SMILES for 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline is COc1ccc(OC)c(C(C)Nc2ccc(Cl)cc2I)c1.
What is the InChIKey of 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline?
The InChIKey is FUUJGDLMMNRLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClINO2/c1-10(19-15-6-4-11(17)8-14(15)18)13-9-12(20-2)5-7-16(13)21-3/h4-10,19H,1-3H3.
What are the key properties of 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline?
4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline has a molecular weight of 417.67 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline is sourced from PubChem (CID 107632180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).