2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline

C13H16IN3 — CID 66135192

IUPAC2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccccc1I
InChIInChI=1S/C13H16IN3/c1-2-7-17-10-15-8-11(17)9-16-13-6-4-3-5-12(13)14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyYETIPENOLLPACT-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.51
Rot. Bonds5

About 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline

2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66135192) has the molecular formula C13H16IN3 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66135192
Molecular FormulaC13H16IN3
Molecular Weight341.20 g/mol
Exact Mass341.04
IUPAC Name2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccccc1I
InChIInChI=1S/C13H16IN3/c1-2-7-17-10-15-8-11(17)9-16-13-6-4-3-5-12(13)14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyYETIPENOLLPACT-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.51
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

2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66132713
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66135192) is 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccccc1I.
What is the InChIKey of 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is YETIPENOLLPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3/c1-2-7-17-10-15-8-11(17)9-16-13-6-4-3-5-12(13)14/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline?
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 341.20 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66135192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).