(4-iodo-2-methoxy-5-nitrophenyl)methanamine

C8H9IN2O3 — CID 171015558

IUPAC(4-iodo-2-methoxy-5-nitrophenyl)methanamine
SMILESCOc1cc(I)c([N+](=O)[O-])cc1CN
InChIInChI=1S/C8H9IN2O3/c1-14-8-3-6(9)7(11(12)13)2-5(8)4-10/h2-3H,4,10H2,1H3
InChIKeyIZMBPYJMGGLYIH-UHFFFAOYSA-N
MW308.08 g/mol
LogP1.67
Rot. Bonds3

About (4-iodo-2-methoxy-5-nitrophenyl)methanamine

(4-iodo-2-methoxy-5-nitrophenyl)methanamine (PubChem CID 171015558) has the molecular formula C8H9IN2O3 and a molecular weight of 308.08 g/mol. Its IUPAC name is (4-iodo-2-methoxy-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(4-iodo-2-methoxy-5-nitrophenyl)methanamine
PubChem CID171015558
Molecular FormulaC8H9IN2O3
Molecular Weight308.08 g/mol
Exact Mass307.97
IUPAC Name(4-iodo-2-methoxy-5-nitrophenyl)methanamine
SMILESCOc1cc(I)c([N+](=O)[O-])cc1CN
InChIInChI=1S/C8H9IN2O3/c1-14-8-3-6(9)7(11(12)13)2-5(8)4-10/h2-3H,4,10H2,1H3
InChIKeyIZMBPYJMGGLYIH-UHFFFAOYSA-N
XLogP1.67
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
(2-iodo-4-methyl-5-nitrophenyl)methanamine
CID 171018323
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858
2-bromo-1-(5-iodo-2-methoxy-4-nitrophenyl)ethanone
CID 171012232
(5-methoxy-2-nitro-4-pentoxyphenyl)methanamine
CID 43311550
4-(2,4-dimethoxy-5-nitrophenyl)butan-2-amine
CID 112720882
[5-methoxy-2-(4-nitrophenyl)-4-pyridinyl]methanamine
CID 132589100
[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
CID 133100302
2-[5-(bromomethyl)-4-methoxy-2-nitrophenyl]acetic acid
CID 171011245
5-(bromomethyl)-4-methoxy-2-nitrobenzonitrile
CID 171020793
(2-bromo-6-methoxy-4-nitrophenyl)methanamine
CID 171019721

Frequently Asked Questions

What is the IUPAC name of (4-iodo-2-methoxy-5-nitrophenyl)methanamine?
The IUPAC name of (4-iodo-2-methoxy-5-nitrophenyl)methanamine (CID 171015558) is (4-iodo-2-methoxy-5-nitrophenyl)methanamine.
What is the SMILES notation for (4-iodo-2-methoxy-5-nitrophenyl)methanamine?
The canonical SMILES for (4-iodo-2-methoxy-5-nitrophenyl)methanamine is COc1cc(I)c([N+](=O)[O-])cc1CN.
What is the InChIKey of (4-iodo-2-methoxy-5-nitrophenyl)methanamine?
The InChIKey is IZMBPYJMGGLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O3/c1-14-8-3-6(9)7(11(12)13)2-5(8)4-10/h2-3H,4,10H2,1H3.
What are the key properties of (4-iodo-2-methoxy-5-nitrophenyl)methanamine?
(4-iodo-2-methoxy-5-nitrophenyl)methanamine has a molecular weight of 308.08 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2-methoxy-5-nitrophenyl)methanamine is sourced from PubChem (CID 171015558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).