2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol

C12H17IN2O — CID 114755784

IUPAC2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol
SMILESNc1ccc(NCC2(CCO)CC2)c(I)c1
InChIInChI=1S/C12H17IN2O/c13-10-7-9(14)1-2-11(10)15-8-12(3-4-12)5-6-16/h1-2,7,15-16H,3-6,8,14H2
InChIKeySOSLIUOKYHPBCK-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol

2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol (PubChem CID 114755784) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol
PubChem CID114755784
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol
SMILESNc1ccc(NCC2(CCO)CC2)c(I)c1
InChIInChI=1S/C12H17IN2O/c13-10-7-9(14)1-2-11(10)15-8-12(3-4-12)5-6-16/h1-2,7,15-16H,3-6,8,14H2
InChIKeySOSLIUOKYHPBCK-UHFFFAOYSA-N
XLogP2.45
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.45
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-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 66095013
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol
CID 114755776
4-amino-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
CID 114755919
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-sulfamoylbenzoic acid
CID 114756979
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814
1-N-(2,2-dimethylbutyl)-2-iodobenzene-1,4-diamine
CID 103460116
1-N-benzyl-2-iodobenzene-1,4-diamine
CID 66093524
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide
CID 114755845

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol (CID 114755784) is 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol is Nc1ccc(NCC2(CCO)CC2)c(I)c1.
What is the InChIKey of 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol?
The InChIKey is SOSLIUOKYHPBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c13-10-7-9(14)1-2-11(10)15-8-12(3-4-12)5-6-16/h1-2,7,15-16H,3-6,8,14H2.
What are the key properties of 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol?
2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol has a molecular weight of 332.19 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114755784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).