N-(4-fluoro-2-iodophenyl)cyclododecanamine

C18H27FIN — CID 79759180

IUPACN-(4-fluoro-2-iodophenyl)cyclododecanamine
SMILESFc1ccc(NC2CCCCCCCCCCC2)c(I)c1
InChIInChI=1S/C18H27FIN/c19-15-12-13-18(17(20)14-15)21-16-10-8-6-4-2-1-3-5-7-9-11-16/h12-14,16,21H,1-11H2
InChIKeyQMOBBJUECWUURA-UHFFFAOYSA-N
MW403.32 g/mol
LogP6.52
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)cyclododecanamine

N-(4-fluoro-2-iodophenyl)cyclododecanamine (PubChem CID 79759180) has the molecular formula C18H27FIN and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)cyclododecanamine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)cyclododecanamine
PubChem CID79759180
Molecular FormulaC18H27FIN
Molecular Weight403.32 g/mol
Exact Mass403.12
IUPAC NameN-(4-fluoro-2-iodophenyl)cyclododecanamine
SMILESFc1ccc(NC2CCCCCCCCCCC2)c(I)c1
InChIInChI=1S/C18H27FIN/c19-15-12-13-18(17(20)14-15)21-16-10-8-6-4-2-1-3-5-7-9-11-16/h12-14,16,21H,1-11H2
InChIKeyQMOBBJUECWUURA-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
CID 79768490
N-(3,3-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79768980
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
CID 82304125
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
N-(4-fluoro-2-iodophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79769381

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)cyclododecanamine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)cyclododecanamine (CID 79759180) is N-(4-fluoro-2-iodophenyl)cyclododecanamine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)cyclododecanamine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)cyclododecanamine is Fc1ccc(NC2CCCCCCCCCCC2)c(I)c1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)cyclododecanamine?
The InChIKey is QMOBBJUECWUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FIN/c19-15-12-13-18(17(20)14-15)21-16-10-8-6-4-2-1-3-5-7-9-11-16/h12-14,16,21H,1-11H2.
What are the key properties of N-(4-fluoro-2-iodophenyl)cyclododecanamine?
N-(4-fluoro-2-iodophenyl)cyclododecanamine has a molecular weight of 403.32 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)cyclododecanamine is sourced from PubChem (CID 79759180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).