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

C18H22IN — CID 43773347

IUPAC3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCC(CC(C)(C)c1ccccc1)Nc1cccc(I)c1
InChIInChI=1S/C18H22IN/c1-14(20-17-11-7-10-16(19)12-17)13-18(2,3)15-8-5-4-6-9-15/h4-12,14,20H,13H2,1-3H3
InChIKeySECPMSMIYQQESR-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.46
Rot. Bonds5

About 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline

3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline (PubChem CID 43773347) has the molecular formula C18H22IN and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
PubChem CID43773347
Molecular FormulaC18H22IN
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC Name3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCC(CC(C)(C)c1ccccc1)Nc1cccc(I)c1
InChIInChI=1S/C18H22IN/c1-14(20-17-11-7-10-16(19)12-17)13-18(2,3)15-8-5-4-6-9-15/h4-12,14,20H,13H2,1-3H3
InChIKeySECPMSMIYQQESR-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'}

Analyze 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
CID 43762494
2-chloro-4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63445453
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43764409
N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
CID 43759154
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
CID 134709520
3-fluoro-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63455215
2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 82744754
2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 107631333

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The IUPAC name of 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline (CID 43773347) is 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline.
What is the SMILES notation for 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The canonical SMILES for 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline is CC(CC(C)(C)c1ccccc1)Nc1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The InChIKey is SECPMSMIYQQESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN/c1-14(20-17-11-7-10-16(19)12-17)13-18(2,3)15-8-5-4-6-9-15/h4-12,14,20H,13H2,1-3H3.
What are the key properties of 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline?
3-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 3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline is sourced from PubChem (CID 43773347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).