N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

C14H18IN3 — CID 61316520

IUPACN-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)c1nccn1C
InChIInChI=1S/C14H18IN3/c1-3-8-16-13(14-17-9-10-18(14)2)11-4-6-12(15)7-5-11/h4-7,9-10,13,16H,3,8H2,1-2H3
InChIKeyMCUCOLBPJSDEQO-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.11
Rot. Bonds5

About N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 61316520) has the molecular formula C14H18IN3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID61316520
Molecular FormulaC14H18IN3
Molecular Weight355.22 g/mol
Exact Mass355.05
IUPAC NameN-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)c1nccn1C
InChIInChI=1S/C14H18IN3/c1-3-8-16-13(14-17-9-10-18(14)2)11-4-6-12(15)7-5-11/h4-7,9-10,13,16H,3,8H2,1-2H3
InChIKeyMCUCOLBPJSDEQO-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.11
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-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316328
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659313
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61316143
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 61315754

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 61316520) is N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(I)cc1)c1nccn1C.
What is the InChIKey of N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is MCUCOLBPJSDEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3/c1-3-8-16-13(14-17-9-10-18(14)2)11-4-6-12(15)7-5-11/h4-7,9-10,13,16H,3,8H2,1-2H3.
What are the key properties of N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 355.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61316520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).