1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine

C11H13FIN — CID 117046693

IUPAC1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(I)c(F)c2)CC1
InChIInChI=1S/C11H13FIN/c1-7(14)11(4-5-11)8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5,14H2,1H3
InChIKeyRMSCMHMEMCDPNX-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.81
Rot. Bonds2

About 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine

1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine (PubChem CID 117046693) has the molecular formula C11H13FIN and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
PubChem CID117046693
Molecular FormulaC11H13FIN
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(I)c(F)c2)CC1
InChIInChI=1S/C11H13FIN/c1-7(14)11(4-5-11)8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5,14H2,1H3
InChIKeyRMSCMHMEMCDPNX-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.81
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

1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117317155
1-[1-(4-iodophenyl)cyclopentyl]ethanamine
CID 117047031
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine
CID 117367826
1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 83702166
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine (CID 117046693) is 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine is CC(N)C1(c2ccc(I)c(F)c2)CC1.
What is the InChIKey of 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine?
The InChIKey is RMSCMHMEMCDPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FIN/c1-7(14)11(4-5-11)8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine?
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine has a molecular weight of 305.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117046693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).