4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline

C18H22IN — CID 43773231

IUPAC4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCC(CC(C)(C)c1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-14(20-17-11-9-16(19)10-12-17)13-18(2,3)15-7-5-4-6-8-15/h4-12,14,20H,13H2,1-3H3
InChIKeyRNDHQJLSWYRDBR-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.46
Rot. Bonds5

About 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline

4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline (PubChem CID 43773231) has the molecular formula C18H22IN and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
PubChem CID43773231
Molecular FormulaC18H22IN
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC Name4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCC(CC(C)(C)c1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-14(20-17-11-9-16(19)10-12-17)13-18(2,3)15-7-5-4-6-8-15/h4-12,14,20H,13H2,1-3H3
InChIKeyRNDHQJLSWYRDBR-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The IUPAC name of 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline (CID 43773231) is 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline.
What is the SMILES notation for 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The canonical SMILES for 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline is CC(CC(C)(C)c1ccccc1)Nc1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The InChIKey is RNDHQJLSWYRDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN/c1-14(20-17-11-9-16(19)10-12-17)13-18(2,3)15-7-5-4-6-8-15/h4-12,14,20H,13H2,1-3H3.
What are the key properties of 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline has a molecular weight of 379.29 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline is sourced from PubChem (CID 43773231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).