2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

C15H24IN — CID 65489905

IUPAC2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1ccc(I)cc1)C(C)C
InChIInChI=1S/C15H24IN/c1-11(2)14(10-17-12(3)4)9-13-5-7-15(16)8-6-13/h5-8,11-12,14,17H,9-10H2,1-4H3
InChIKeyJEWCPPJLZIFZHW-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.10
Rot. Bonds6

About 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 65489905) has the molecular formula C15H24IN and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID65489905
Molecular FormulaC15H24IN
Molecular Weight345.27 g/mol
Exact Mass345.10
IUPAC Name2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1ccc(I)cc1)C(C)C
InChIInChI=1S/C15H24IN/c1-11(2)14(10-17-12(3)4)9-13-5-7-15(16)8-6-13/h5-8,11-12,14,17H,9-10H2,1-4H3
InChIKeyJEWCPPJLZIFZHW-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.10
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]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139224
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
(2S)-1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
CID 6603875
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 62528167
2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane
CID 156850143
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62530134
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015179
1-(4-iodophenyl)-3,4-dimethylpentan-2-amine
CID 115864367

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (CID 65489905) is 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(Cc1ccc(I)cc1)C(C)C.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is JEWCPPJLZIFZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN/c1-11(2)14(10-17-12(3)4)9-13-5-7-15(16)8-6-13/h5-8,11-12,14,17H,9-10H2,1-4H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 345.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65489905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).