(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine

C15H16N2O3 — CID 43825492

IUPAC(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCOc1ccccc1C(N)c1cc(C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-10-7-11(9-12(8-10)17(18)19)15(16)13-5-3-4-6-14(13)20-2/h3-9,15H,16H2,1-2H3
InChIKeyUDZPPBQYQDDGET-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.96
Rot. Bonds4

About (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine

(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine (PubChem CID 43825492) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
PubChem CID43825492
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCOc1ccccc1C(N)c1cc(C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-10-7-11(9-12(8-10)17(18)19)15(16)13-5-3-4-6-14(13)20-2/h3-9,15H,16H2,1-2H3
InChIKeyUDZPPBQYQDDGET-UHFFFAOYSA-N
XLogP2.96
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.96
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-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825498
(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine
CID 43824948
(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825493
(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193845
(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825521
2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine
CID 43825519
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
CID 65104269
(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
CID 43825081
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine (CID 43825492) is (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine is COc1ccccc1C(N)c1cc(C)cc([N+](=O)[O-])c1.
What is the InChIKey of (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine?
The InChIKey is UDZPPBQYQDDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-7-11(9-12(8-10)17(18)19)15(16)13-5-3-4-6-14(13)20-2/h3-9,15H,16H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine?
(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine has a molecular weight of 272.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).