N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline

C15H15FIN — CID 114256809

IUPACN-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
SMILESCc1c(I)cccc1NC(C)c1cccc(F)c1
InChIInChI=1S/C15H15FIN/c1-10-14(17)7-4-8-15(10)18-11(2)12-5-3-6-13(16)9-12/h3-9,11,18H,1-2H3
InChIKeyDQPLHLUYYSKTQK-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.91
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline

N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline (PubChem CID 114256809) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
PubChem CID114256809
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
SMILESCc1c(I)cccc1NC(C)c1cccc(F)c1
InChIInChI=1S/C15H15FIN/c1-10-14(17)7-4-8-15(10)18-11(2)12-5-3-6-13(16)9-12/h3-9,11,18H,1-2H3
InChIKeyDQPLHLUYYSKTQK-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.91
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

4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43682980
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
2-bromo-6-[1-(3-fluorophenyl)ethylamino]benzoic acid
CID 114887985
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
4-fluoro-2-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 79758863
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline (CID 114256809) is N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline is Cc1c(I)cccc1NC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline?
The InChIKey is DQPLHLUYYSKTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c1-10-14(17)7-4-8-15(10)18-11(2)12-5-3-6-13(16)9-12/h3-9,11,18H,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline?
N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline has a molecular weight of 355.19 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline is sourced from PubChem (CID 114256809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).