2-(2-iodo-4-nitrophenyl)-1-phenylethanamine

C14H13IN2O2 — CID 66092891

IUPAC2-(2-iodo-4-nitrophenyl)-1-phenylethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1I)c1ccccc1
InChIInChI=1S/C14H13IN2O2/c15-13-9-12(17(18)19)7-6-11(13)8-14(16)10-4-2-1-3-5-10/h1-7,9,14H,8,16H2
InChIKeyONBIWKFGLPLIGF-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine

2-(2-iodo-4-nitrophenyl)-1-phenylethanamine (PubChem CID 66092891) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-iodo-4-nitrophenyl)-1-phenylethanamine
PubChem CID66092891
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name2-(2-iodo-4-nitrophenyl)-1-phenylethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1I)c1ccccc1
InChIInChI=1S/C14H13IN2O2/c15-13-9-12(17(18)19)7-6-11(13)8-14(16)10-4-2-1-3-5-10/h1-7,9,14H,8,16H2
InChIKeyONBIWKFGLPLIGF-UHFFFAOYSA-N
XLogP3.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(2-iodo-4-nitrophenyl)propanoic acid
CID 54574280
1-(2-iodo-4-nitrophenyl)-3-methylbutan-2-ol
CID 66093104
2-(5-nitro-2-pyridinyl)-1-phenylethanamine
CID 55162185
1-(2-iodo-4-nitrophenyl)-N,3-dimethylbutan-2-amine
CID 66094339
1-(2-chloro-2-phenylethyl)-2-fluoro-4-nitrobenzene
CID 55162414
N'-(2-chloro-4-nitrophenyl)-1-phenylethane-1,2-diamine
CID 63120881
N-ethyl-1-(2-iodo-4-nitrophenyl)butan-2-amine
CID 66094131
N'-(2-chloro-4-nitrophenyl)-1-phenylpropane-1,3-diamine
CID 80505446
1-(2-iodo-4-nitrophenyl)-3-methoxy-N-methylpropan-2-amine
CID 66093309
(4-nitrophenyl)-phenylmethanamine
CID 19975165
1-(2-iodo-4-nitrophenyl)-3-methyl-N-propylbutan-2-amine
CID 66094544
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine?
The IUPAC name of 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine (CID 66092891) is 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine.
What is the SMILES notation for 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine?
The canonical SMILES for 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine is NC(Cc1ccc([N+](=O)[O-])cc1I)c1ccccc1.
What is the InChIKey of 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine?
The InChIKey is ONBIWKFGLPLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c15-13-9-12(17(18)19)7-6-11(13)8-14(16)10-4-2-1-3-5-10/h1-7,9,14H,8,16H2.
What are the key properties of 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine?
2-(2-iodo-4-nitrophenyl)-1-phenylethanamine has a molecular weight of 368.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-4-nitrophenyl)-1-phenylethanamine is sourced from PubChem (CID 66092891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).