1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine

C9H11ClN2O3 — CID 83894563

IUPAC1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)ccc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O3/c1-11-5-6-7(10)3-4-8(15-2)9(6)12(13)14/h3-4,11H,5H2,1-2H3
InChIKeyOJJUHHGVJDCTAB-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.98
Rot. Bonds4

About 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine

1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine (PubChem CID 83894563) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine
PubChem CID83894563
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)ccc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O3/c1-11-5-6-7(10)3-4-8(15-2)9(6)12(13)14/h3-4,11H,5H2,1-2H3
InChIKeyOJJUHHGVJDCTAB-UHFFFAOYSA-N
XLogP1.98
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-chloro-3-methoxy-2-nitrophenyl)acetonitrile
CID 171002897
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
1-[2-chloro-6-(2-methyl-3-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032203
3,4-dichloro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43212554
1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine
CID 62114292
1-[3-chloro-4-(2-chloro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151385
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-5-nitroaniline
CID 43785645
3-chloro-4-methoxy-2-nitrobenzaldehyde
CID 77231457
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 103293672
2-(6-bromo-3-methoxy-2-nitrophenyl)acetic acid
CID 171007936
(3,6-dichloro-2-nitrophenyl)methanol
CID 131014118

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine (CID 83894563) is 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine is CNCc1c(Cl)ccc(OC)c1[N+](=O)[O-].
What is the InChIKey of 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine?
The InChIKey is OJJUHHGVJDCTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-11-5-6-7(10)3-4-8(15-2)9(6)12(13)14/h3-4,11H,5H2,1-2H3.
What are the key properties of 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine?
1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine has a molecular weight of 230.65 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine is sourced from PubChem (CID 83894563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).