1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine

C14H12ClFIN — CID 65479346

IUPAC1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H12ClFIN/c15-12-3-1-2-11(14(12)16)13(18)8-9-4-6-10(17)7-5-9/h1-7,13H,8,18H2
InChIKeyBCZWNJZXGQKYQF-UHFFFAOYSA-N
MW375.61 g/mol
LogP4.33
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine

1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine (PubChem CID 65479346) has the molecular formula C14H12ClFIN and a molecular weight of 375.61 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine
PubChem CID65479346
Molecular FormulaC14H12ClFIN
Molecular Weight375.61 g/mol
Exact Mass374.97
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H12ClFIN/c15-12-3-1-2-11(14(12)16)13(18)8-9-4-6-10(17)7-5-9/h1-7,13H,8,18H2
InChIKeyBCZWNJZXGQKYQF-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.61
LogP ≤ 54.33
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-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
CID 82805672
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105264373
1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 64713286
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine (CID 65479346) is 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine is NC(Cc1ccc(I)cc1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine?
The InChIKey is BCZWNJZXGQKYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFIN/c15-12-3-1-2-11(14(12)16)13(18)8-9-4-6-10(17)7-5-9/h1-7,13H,8,18H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine?
1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine has a molecular weight of 375.61 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 65479346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).