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

C13H19IN2O — CID 66082322

IUPAC2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(I)ccc1NCC1CCCCC1O
InChIInChI=1S/C13H19IN2O/c14-10-5-6-12(11(15)7-10)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8,15H2
InChIKeySIDTZTBECNPOFF-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.84
Rot. Bonds3

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

2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol (PubChem CID 66082322) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol
PubChem CID66082322
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(I)ccc1NCC1CCCCC1O
InChIInChI=1S/C13H19IN2O/c14-10-5-6-12(11(15)7-10)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8,15H2
InChIKeySIDTZTBECNPOFF-UHFFFAOYSA-N
XLogP2.84
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.84
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

1-N-(cyclohexylmethyl)-4-iodobenzene-1,2-diamine
CID 66066462
2-[(2-amino-4-nitroanilino)methyl]cyclohexan-1-ol
CID 64927648
2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
CID 115469089
2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 64929806
2-[(4-aminoanilino)methyl]cyclohexan-1-ol
CID 64930000
4-amino-3-[(2-hydroxycyclopentyl)methylamino]benzonitrile
CID 104712081
4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 55013528
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol
CID 64928032
4-iodo-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,2-diamine
CID 66079741
2-amino-5-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 115499554

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol (CID 66082322) is 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol is Nc1cc(I)ccc1NCC1CCCCC1O.
What is the InChIKey of 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol?
The InChIKey is SIDTZTBECNPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c14-10-5-6-12(11(15)7-10)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8,15H2.
What are the key properties of 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol?
2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol has a molecular weight of 346.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 66082322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).