3-iodo-N-(3-methoxy-2-methylpropyl)aniline

C11H16INO — CID 116500847

IUPAC3-iodo-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1cccc(I)c1
InChIInChI=1S/C11H16INO/c1-9(8-14-2)7-13-11-5-3-4-10(12)6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyKCRFZIIIZLZKIJ-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.99
Rot. Bonds5

About 3-iodo-N-(3-methoxy-2-methylpropyl)aniline

3-iodo-N-(3-methoxy-2-methylpropyl)aniline (PubChem CID 116500847) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-iodo-N-(3-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name3-iodo-N-(3-methoxy-2-methylpropyl)aniline
PubChem CID116500847
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name3-iodo-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1cccc(I)c1
InChIInChI=1S/C11H16INO/c1-9(8-14-2)7-13-11-5-3-4-10(12)6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyKCRFZIIIZLZKIJ-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-(2-methylpentyl)aniline
CID 43124492
N-(3-methoxy-2-methylpropyl)-3-(trifluoromethyl)aniline
CID 116500690
2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116501073
N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
CID 116500940
1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
CID 60900225
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691
3-bromo-4-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501354
4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 107272154
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
[2-hydroxy-3-(3-iodoanilino)propyl] 2-methylbutanoate
CID 59017798
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
3,4,5-trifluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 116501289

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-methoxy-2-methylpropyl)aniline?
The IUPAC name of 3-iodo-N-(3-methoxy-2-methylpropyl)aniline (CID 116500847) is 3-iodo-N-(3-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 3-iodo-N-(3-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 3-iodo-N-(3-methoxy-2-methylpropyl)aniline is COCC(C)CNc1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(3-methoxy-2-methylpropyl)aniline?
The InChIKey is KCRFZIIIZLZKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-9(8-14-2)7-13-11-5-3-4-10(12)6-11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-iodo-N-(3-methoxy-2-methylpropyl)aniline?
3-iodo-N-(3-methoxy-2-methylpropyl)aniline has a molecular weight of 305.16 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 116500847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).