5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline

C16H24IN — CID 114257107

IUPAC5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCc1ccc(I)cc1NC1CCCCC1C(C)C
InChIInChI=1S/C16H24IN/c1-11(2)14-6-4-5-7-15(14)18-16-10-13(17)9-8-12(16)3/h8-11,14-15,18H,4-7H2,1-3H3
InChIKeyPPHMEDYFFDLGBJ-UHFFFAOYSA-N
MW357.28 g/mol
LogP5.23
Rot. Bonds3

About 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline

5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline (PubChem CID 114257107) has the molecular formula C16H24IN and a molecular weight of 357.28 g/mol. Its IUPAC name is 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline
PubChem CID114257107
Molecular FormulaC16H24IN
Molecular Weight357.28 g/mol
Exact Mass357.10
IUPAC Name5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCc1ccc(I)cc1NC1CCCCC1C(C)C
InChIInChI=1S/C16H24IN/c1-11(2)14-6-4-5-7-15(14)18-16-10-13(17)9-8-12(16)3/h8-11,14-15,18H,4-7H2,1-3H3
InChIKeyPPHMEDYFFDLGBJ-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.28
LogP ≤ 55.23
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

4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline
CID 107571902
3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine
CID 104834785
trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
CID 15550734
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
4-amino-3-[(2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 104712194
5-methoxy-2-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-4-amine
CID 106660631
2-(5-amino-2-methylanilino)cyclohexan-1-ol
CID 62590729
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941
trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
CID 124709501
5-bromo-4-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-2-amine
CID 114869348
5-bromo-2-[(2-propan-2-ylcyclohexyl)amino]benzenecarbothioamide
CID 114891991
methyl 3-(5-iodo-2-methylanilino)-2-methylbutanoate
CID 114257455

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline (CID 114257107) is 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline is Cc1ccc(I)cc1NC1CCCCC1C(C)C.
What is the InChIKey of 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline?
The InChIKey is PPHMEDYFFDLGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN/c1-11(2)14-6-4-5-7-15(14)18-16-10-13(17)9-8-12(16)3/h8-11,14-15,18H,4-7H2,1-3H3.
What are the key properties of 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline?
5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline has a molecular weight of 357.28 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 114257107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).