[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol

C13H18INO — CID 81343754

IUPAC[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCC(NCC1(CO)CC1)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-10(11-2-4-12(14)5-3-11)15-8-13(9-16)6-7-13/h2-5,10,15-16H,6-9H2,1H3
InChIKeyIDJJTCKLHCGJSP-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.71
Rot. Bonds5

About [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol

[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 81343754) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
PubChem CID81343754
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCC(NCC1(CO)CC1)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-10(11-2-4-12(14)5-3-11)15-8-13(9-16)6-7-13/h2-5,10,15-16H,6-9H2,1H3
InChIKeyIDJJTCKLHCGJSP-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.71
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

4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
CID 115776769
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
CID 66175909
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
CID 103903124

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol (CID 81343754) is [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol is CC(NCC1(CO)CC1)c1ccc(I)cc1.
What is the InChIKey of [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is IDJJTCKLHCGJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-10(11-2-4-12(14)5-3-11)15-8-13(9-16)6-7-13/h2-5,10,15-16H,6-9H2,1H3.
What are the key properties of [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol?
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 331.20 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 81343754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).