2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine

C12H18IN — CID 65490309

IUPAC2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-3-10(9-14-2)8-11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyFZWPMGKEUIFAEJ-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.08
Rot. Bonds5

About 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine

2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine (PubChem CID 65490309) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
PubChem CID65490309
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-3-10(9-14-2)8-11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyFZWPMGKEUIFAEJ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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-[(4-iodophenyl)methyl]-N-methylpentan-1-amine
CID 65488914
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
CID 65477138
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
CID 115254758
2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine
CID 116931822
2-(1,3-benzoxazol-6-ylmethyl)-N-methylbutan-1-amine
CID 116931858
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine
CID 63521178

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine (CID 65490309) is 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine is CCC(CNC)Cc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is FZWPMGKEUIFAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-3-10(9-14-2)8-11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine?
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 303.19 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 65490309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).