3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol

C14H20INO — CID 106132031

IUPAC3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(I)cc2)C1
InChIInChI=1S/C14H20INO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10H2
InChIKeyMXUIXOHKDGPVLG-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.93
Rot. Bonds4

About 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106132031) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106132031
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(I)cc2)C1
InChIInChI=1S/C14H20INO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10H2
InChIKeyMXUIXOHKDGPVLG-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.93
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

3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699820
3-[(4-iodophenyl)methyl]cycloheptan-1-ol
CID 65490170
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-[3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560449
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol (CID 106132031) is 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2ccc(I)cc2)C1.
What is the InChIKey of 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MXUIXOHKDGPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10H2.
What are the key properties of 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 345.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).