(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine

C15H16N2O4 — CID 70193845

IUPAC(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-6-7-13(14(9-12)21-2)15(16)10-4-3-5-11(8-10)17(18)19/h3-9,15H,16H2,1-2H3
InChIKeyHIOQBCMVHKZLIK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.66
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine

(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine (PubChem CID 70193845) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine
PubChem CID70193845
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-6-7-13(14(9-12)21-2)15(16)10-4-3-5-11(8-10)17(18)19/h3-9,15H,16H2,1-2H3
InChIKeyHIOQBCMVHKZLIK-UHFFFAOYSA-N
XLogP2.66
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193824
(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
CID 43825081
(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825492
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(R)-(3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171245523
(3-nitrophenyl)-thiophen-2-ylmethanamine
CID 22215325
1-methoxy-3-nitrobenzene;molecular nitrogen;hydrochloride
CID 173306835
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
N-[(S)-(2-hydroxy-5-methoxyphenyl)-(3-nitrophenyl)methyl]acetamide
CID 139076253
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 103215224
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine (CID 70193845) is (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine is COc1ccc(C(N)c2cccc([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine?
The InChIKey is HIOQBCMVHKZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-12-6-7-13(14(9-12)21-2)15(16)10-4-3-5-11(8-10)17(18)19/h3-9,15H,16H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine?
(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine has a molecular weight of 288.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine is sourced from PubChem (CID 70193845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).