1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine

C15H24IN — CID 107859391

IUPAC1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCc1cc(C)c(CNC(CI)C(C)C)c(C)c1
InChIInChI=1S/C15H24IN/c1-10(2)15(8-16)17-9-14-12(4)6-11(3)7-13(14)5/h6-7,10,15,17H,8-9H2,1-5H3
InChIKeyHGORUUBGTQCTSB-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.16
Rot. Bonds5

About 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine

1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (PubChem CID 107859391) has the molecular formula C15H24IN and a molecular weight of 345.27 g/mol. Its IUPAC name is 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
PubChem CID107859391
Molecular FormulaC15H24IN
Molecular Weight345.27 g/mol
Exact Mass345.10
IUPAC Name1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCc1cc(C)c(CNC(CI)C(C)C)c(C)c1
InChIInChI=1S/C15H24IN/c1-10(2)15(8-16)17-9-14-12(4)6-11(3)7-13(14)5/h6-7,10,15,17H,8-9H2,1-5H3
InChIKeyHGORUUBGTQCTSB-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
CID 61476145
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
1-iodo-3-methyl-N-[(4-methylphenyl)methyl]butan-2-amine
CID 107859439
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
1-chloro-4,4-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]pentan-3-amine
CID 106354200
1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43080713
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
1-chloro-N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 79259499

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The IUPAC name of 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (CID 107859391) is 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The canonical SMILES for 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is Cc1cc(C)c(CNC(CI)C(C)C)c(C)c1.
What is the InChIKey of 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The InChIKey is HGORUUBGTQCTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN/c1-10(2)15(8-16)17-9-14-12(4)6-11(3)7-13(14)5/h6-7,10,15,17H,8-9H2,1-5H3.
What are the key properties of 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine has a molecular weight of 345.27 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 107859391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).