4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine

C15H21FIN — CID 79768490

IUPAC4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C15H21FIN/c1-2-11-4-3-5-13(8-6-11)18-15-9-7-12(16)10-14(15)17/h7,9-11,13,18H,2-6,8H2,1H3
InChIKeyMGBKSRSTFJPUIF-UHFFFAOYSA-N
MW361.24 g/mol
LogP5.20
Rot. Bonds3

About 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine

4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine (PubChem CID 79768490) has the molecular formula C15H21FIN and a molecular weight of 361.24 g/mol. Its IUPAC name is 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
PubChem CID79768490
Molecular FormulaC15H21FIN
Molecular Weight361.24 g/mol
Exact Mass361.07
IUPAC Name4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C15H21FIN/c1-2-11-4-3-5-13(8-6-11)18-15-9-7-12(16)10-14(15)17/h7,9-11,13,18H,2-6,8H2,1H3
InChIKeyMGBKSRSTFJPUIF-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.24
LogP ≤ 55.20
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
N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
N-(2-chloro-4-iodophenyl)-4-ethylcycloheptan-1-amine
CID 65083669
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
N-(3,3-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79768980
4-ethyl-N-(2-fluoro-4-nitrophenyl)cycloheptan-1-amine
CID 65083703
N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
CID 81292619
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
methyl 3-[(4-ethylcycloheptyl)amino]-4-fluorobenzoate
CID 65084484

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine (CID 79768490) is 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine is CCC1CCCC(Nc2ccc(F)cc2I)CC1.
What is the InChIKey of 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine?
The InChIKey is MGBKSRSTFJPUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FIN/c1-2-11-4-3-5-13(8-6-11)18-15-9-7-12(16)10-14(15)17/h7,9-11,13,18H,2-6,8H2,1H3.
What are the key properties of 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine?
4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine has a molecular weight of 361.24 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine is sourced from PubChem (CID 79768490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).