1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol

C11H14INO — CID 130617444

IUPAC1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol
SMILESOC1(CCNc2cccc(I)c2)CC1
InChIInChI=1S/C11H14INO/c12-9-2-1-3-10(8-9)13-7-6-11(14)4-5-11/h1-3,8,13-14H,4-7H2
InChIKeyXTNHVGNNEKJRIE-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol

1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol (PubChem CID 130617444) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol
PubChem CID130617444
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol
SMILESOC1(CCNc2cccc(I)c2)CC1
InChIInChI=1S/C11H14INO/c12-9-2-1-3-10(8-9)13-7-6-11(14)4-5-11/h1-3,8,13-14H,4-7H2
InChIKeyXTNHVGNNEKJRIE-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-iodoanilino)pentan-1-ol
CID 62228446
2-(1-hydroxycyclopentyl)-N-(3-iodophenyl)acetamide
CID 111432130
1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
CID 131008554
N'-hydroxy-2-[1-[(3-iodoanilino)methyl]cyclopropyl]ethanimidamide
CID 77071007
2-[1-[(3-iodoanilino)methyl]cyclopropyl]acetonitrile
CID 65481732
methyl 2-(3-iodoanilino)acetate
CID 19829858
N-[2-(4-bromophenoxy)ethyl]-3-iodoaniline
CID 63487821
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
1-(azepan-1-yl)-2-(3-iodoanilino)ethanone
CID 28836114
2-(3-iodoanilino)-N-propan-2-ylacetamide
CID 28829975
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol (CID 130617444) is 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol is OC1(CCNc2cccc(I)c2)CC1.
What is the InChIKey of 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol?
The InChIKey is XTNHVGNNEKJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-9-2-1-3-10(8-9)13-7-6-11(14)4-5-11/h1-3,8,13-14H,4-7H2.
What are the key properties of 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol?
1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol has a molecular weight of 303.14 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 130617444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).