3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol

C11H15IN2O — CID 66094201

IUPAC3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol
SMILESNc1ccc(NCC2CC(O)C2)c(I)c1
InChIInChI=1S/C11H15IN2O/c12-10-5-8(13)1-2-11(10)14-6-7-3-9(15)4-7/h1-2,5,7,9,14-15H,3-4,6,13H2
InChIKeySWRKLJJVQBSBLF-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.06
Rot. Bonds3

About 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol

3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol (PubChem CID 66094201) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol
PubChem CID66094201
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol
SMILESNc1ccc(NCC2CC(O)C2)c(I)c1
InChIInChI=1S/C11H15IN2O/c12-10-5-8(13)1-2-11(10)14-6-7-3-9(15)4-7/h1-2,5,7,9,14-15H,3-4,6,13H2
InChIKeySWRKLJJVQBSBLF-UHFFFAOYSA-N
XLogP2.06
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-1-N-[(1-methylpiperidin-4-yl)methyl]benzene-1,4-diamine
CID 66094994
5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
CID 103287162
2-iodo-1-N-(3-methylbut-2-enyl)benzene-1,4-diamine
CID 106182064
3-[(4-amino-2-iodo-N-methylanilino)methyl]cyclobutan-1-ol
CID 66094405
4-[(2-iodo-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130004
1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 66095013
5-amino-3-[(3-hydroxycyclobutyl)methylamino]-2-methylbenzenesulfonamide
CID 79904586
2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol
CID 114755784
1-N-(2,2-dimethylbutyl)-2-iodobenzene-1,4-diamine
CID 103460116
1-N-benzyl-2-iodobenzene-1,4-diamine
CID 66093524
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol (CID 66094201) is 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol is Nc1ccc(NCC2CC(O)C2)c(I)c1.
What is the InChIKey of 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol?
The InChIKey is SWRKLJJVQBSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c12-10-5-8(13)1-2-11(10)14-6-7-3-9(15)4-7/h1-2,5,7,9,14-15H,3-4,6,13H2.
What are the key properties of 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol?
3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol has a molecular weight of 318.16 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 66094201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).