4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline

C18H15ClIN — CID 107632024

IUPAC4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1I)c1cccc2ccccc12
InChIInChI=1S/C18H15ClIN/c1-12(21-18-10-9-14(19)11-17(18)20)15-8-4-6-13-5-2-3-7-16(13)15/h2-12,21H,1H3
InChIKeyIGCIFYLFLSIZEC-UHFFFAOYSA-N
MW407.68 g/mol
LogP6.27
Rot. Bonds3

About 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline

4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline (PubChem CID 107632024) has the molecular formula C18H15ClIN and a molecular weight of 407.68 g/mol. Its IUPAC name is 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
PubChem CID107632024
Molecular FormulaC18H15ClIN
Molecular Weight407.68 g/mol
Exact Mass406.99
IUPAC Name4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1I)c1cccc2ccccc12
InChIInChI=1S/C18H15ClIN/c1-12(21-18-10-9-14(19)11-17(18)20)15-8-4-6-13-5-2-3-7-16(13)15/h2-12,21H,1H3
InChIKeyIGCIFYLFLSIZEC-UHFFFAOYSA-N
XLogP6.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.68
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
CID 107632180
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
CID 107364114
2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
CID 15066371
4-chloro-N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 107632037
4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline
CID 46187257
2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline
CID 43736721
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
CID 107632154

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline?
The IUPAC name of 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline (CID 107632024) is 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline.
What is the SMILES notation for 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline?
The canonical SMILES for 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline is CC(Nc1ccc(Cl)cc1I)c1cccc2ccccc12.
What is the InChIKey of 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline?
The InChIKey is IGCIFYLFLSIZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClIN/c1-12(21-18-10-9-14(19)11-17(18)20)15-8-4-6-13-5-2-3-7-16(13)15/h2-12,21H,1H3.
What are the key properties of 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline?
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline has a molecular weight of 407.68 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline is sourced from PubChem (CID 107632024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).