3-iodo-N-(2-methylpentyl)aniline

C12H18IN — CID 43124492

IUPAC3-iodo-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cccc(I)c1
InChIInChI=1S/C12H18IN/c1-3-5-10(2)9-14-12-7-4-6-11(13)8-12/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyKXWJKIJPULEXEX-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.14
Rot. Bonds5

About 3-iodo-N-(2-methylpentyl)aniline

3-iodo-N-(2-methylpentyl)aniline (PubChem CID 43124492) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 3-iodo-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name3-iodo-N-(2-methylpentyl)aniline
PubChem CID43124492
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name3-iodo-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cccc(I)c1
InChIInChI=1S/C12H18IN/c1-3-5-10(2)9-14-12-7-4-6-11(13)8-12/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyKXWJKIJPULEXEX-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.14
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

3-methyl-N-(2-methylpentyl)aniline
CID 43103474
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679
2,6-dibromo-N-(2-methylpentyl)aniline
CID 107597227
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687104
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-methylpentyl)aniline?
The IUPAC name of 3-iodo-N-(2-methylpentyl)aniline (CID 43124492) is 3-iodo-N-(2-methylpentyl)aniline.
What is the SMILES notation for 3-iodo-N-(2-methylpentyl)aniline?
The canonical SMILES for 3-iodo-N-(2-methylpentyl)aniline is CCCC(C)CNc1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-methylpentyl)aniline?
The InChIKey is KXWJKIJPULEXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-3-5-10(2)9-14-12-7-4-6-11(13)8-12/h4,6-8,10,14H,3,5,9H2,1-2H3.
What are the key properties of 3-iodo-N-(2-methylpentyl)aniline?
3-iodo-N-(2-methylpentyl)aniline has a molecular weight of 303.19 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43124492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).