N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline

C13H15FIN — CID 79769128

IUPACN-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline
SMILESFc1ccc(NC(C2CC2)C2CC2)c(I)c1
InChIInChI=1S/C13H15FIN/c14-10-5-6-12(11(15)7-10)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2
InChIKeyNYGXYOIPZVEGGB-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.03
Rot. Bonds4

About N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline

N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline (PubChem CID 79769128) has the molecular formula C13H15FIN and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline
PubChem CID79769128
Molecular FormulaC13H15FIN
Molecular Weight331.17 g/mol
Exact Mass331.02
IUPAC NameN-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline
SMILESFc1ccc(NC(C2CC2)C2CC2)c(I)c1
InChIInChI=1S/C13H15FIN/c14-10-5-6-12(11(15)7-10)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2
InChIKeyNYGXYOIPZVEGGB-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.03
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-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
CID 79768481
N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123
N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
CID 79768647
4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228
5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline
CID 43555384
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43772571
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline?
The IUPAC name of N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline (CID 79769128) is N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline is Fc1ccc(NC(C2CC2)C2CC2)c(I)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline?
The InChIKey is NYGXYOIPZVEGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FIN/c14-10-5-6-12(11(15)7-10)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2.
What are the key properties of N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline?
N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline has a molecular weight of 331.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).