4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid

C14H18INO2 — CID 65478258

IUPAC4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccc(I)cc2)CC1
InChIInChI=1S/C14H18INO2/c15-12-5-1-10(2-6-12)9-16-13-7-3-11(4-8-13)14(17)18/h1-2,5-6,11,13,16H,3-4,7-9H2,(H,17,18)
InChIKeyZJAPFQCVTFUWFH-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.02
Rot. Bonds4

About 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid

4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 65478258) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID65478258
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccc(I)cc2)CC1
InChIInChI=1S/C14H18INO2/c15-12-5-1-10(2-6-12)9-16-13-7-3-11(4-8-13)14(17)18/h1-2,5-6,11,13,16H,3-4,7-9H2,(H,17,18)
InChIKeyZJAPFQCVTFUWFH-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.02
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-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122039059
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
N-cyclopropyl-2-[(4-iodophenyl)methylamino]acetamide
CID 65477363
3-[4-[(cyclopropylamino)methyl]phenyl]propanoic acid;hydrochloride
CID 164606797
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
3-[(4-methylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 117027705
4-[(3-ethoxy-4-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054528
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid
CID 84753304

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid (CID 65478258) is 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2ccc(I)cc2)CC1.
What is the InChIKey of 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZJAPFQCVTFUWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c15-12-5-1-10(2-6-12)9-16-13-7-3-11(4-8-13)14(17)18/h1-2,5-6,11,13,16H,3-4,7-9H2,(H,17,18).
What are the key properties of 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 359.21 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65478258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).