5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline

C10H13ClIN — CID 145268853

IUPAC5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline
SMILESCc1cc(I)c(Cl)cc1NC(C)C
InChIInChI=1S/C10H13ClIN/c1-6(2)13-10-5-8(11)9(12)4-7(10)3/h4-6,13H,1-3H3
InChIKeyNPODNCQFJWZODU-UHFFFAOYSA-N
MW309.58 g/mol
LogP4.07
Rot. Bonds2

About 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline

5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline (PubChem CID 145268853) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline
PubChem CID145268853
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC Name5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline
SMILESCc1cc(I)c(Cl)cc1NC(C)C
InChIInChI=1S/C10H13ClIN/c1-6(2)13-10-5-8(11)9(12)4-7(10)3/h4-6,13H,1-3H3
InChIKeyNPODNCQFJWZODU-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 54.07
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

5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751
6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine
CID 83698244
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
CID 70806772
2,4,6-trichloro-N-propan-2-ylaniline
CID 28992463
4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590491
(5-chloro-4-iodo-2-methylphenyl)methanol
CID 171004062
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 115554734
5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine
CID 58542754
4-tert-butyl-2-chloro-N-propan-2-ylaniline
CID 135235361

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline?
The IUPAC name of 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline (CID 145268853) is 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline?
The canonical SMILES for 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline is Cc1cc(I)c(Cl)cc1NC(C)C.
What is the InChIKey of 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline?
The InChIKey is NPODNCQFJWZODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN/c1-6(2)13-10-5-8(11)9(12)4-7(10)3/h4-6,13H,1-3H3.
What are the key properties of 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline?
5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline has a molecular weight of 309.58 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 145268853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).