(3-chloro-2-methyl-4-nitrophenyl)methanamine

C8H9ClN2O2 — CID 130938681

IUPAC(3-chloro-2-methyl-4-nitrophenyl)methanamine
SMILESCc1c(CN)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H9ClN2O2/c1-5-6(4-10)2-3-7(8(5)9)11(12)13/h2-3H,4,10H2,1H3
InChIKeyFIWOGJLRLOPODT-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.02
Rot. Bonds2

About (3-chloro-2-methyl-4-nitrophenyl)methanamine

(3-chloro-2-methyl-4-nitrophenyl)methanamine (PubChem CID 130938681) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is (3-chloro-2-methyl-4-nitrophenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methyl-4-nitrophenyl)methanamine
PubChem CID130938681
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name(3-chloro-2-methyl-4-nitrophenyl)methanamine
SMILESCc1c(CN)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H9ClN2O2/c1-5-6(4-10)2-3-7(8(5)9)11(12)13/h2-3H,4,10H2,1H3
InChIKeyFIWOGJLRLOPODT-UHFFFAOYSA-N
XLogP2.02
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dichloro-4-nitrophenyl)methanamine
CID 119010941
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
3-chloro-2-methyl-4-nitrobenzonitrile
CID 130952472
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
(4-methylsulfonyl-2-nitrophenyl)methanamine
CID 44518858
N-(3-chloro-2-methyl-4-nitrophenyl)formamide
CID 168654498
2-chloro-1-(2-chloro-6-methyl-3-nitrophenyl)ethanone
CID 131434082
1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene
CID 118819005
(2-chloro-6-methyl-3-nitrophenyl)methanol
CID 130826389
(3-chloro-2-methyl-5-nitrophenyl)methanamine
CID 130778123
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methyl-4-nitrophenyl)methanamine?
The IUPAC name of (3-chloro-2-methyl-4-nitrophenyl)methanamine (CID 130938681) is (3-chloro-2-methyl-4-nitrophenyl)methanamine.
What is the SMILES notation for (3-chloro-2-methyl-4-nitrophenyl)methanamine?
The canonical SMILES for (3-chloro-2-methyl-4-nitrophenyl)methanamine is Cc1c(CN)ccc([N+](=O)[O-])c1Cl.
What is the InChIKey of (3-chloro-2-methyl-4-nitrophenyl)methanamine?
The InChIKey is FIWOGJLRLOPODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5-6(4-10)2-3-7(8(5)9)11(12)13/h2-3H,4,10H2,1H3.
What are the key properties of (3-chloro-2-methyl-4-nitrophenyl)methanamine?
(3-chloro-2-methyl-4-nitrophenyl)methanamine has a molecular weight of 200.62 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methyl-4-nitrophenyl)methanamine is sourced from PubChem (CID 130938681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).