(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine

C16H18N2O3 — CID 43825081

IUPAC(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc([N+](=O)[O-])cc(C)c2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-13(18(19)20)9-15(11(10)2)16(17)12-5-4-6-14(8-12)21-3/h4-9,16H,17H2,1-3H3
InChIKeyWZGHVJCFOUVNHH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.27
Rot. Bonds4

About (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine

(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine (PubChem CID 43825081) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
PubChem CID43825081
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc([N+](=O)[O-])cc(C)c2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-13(18(19)20)9-15(11(10)2)16(17)12-5-4-6-14(8-12)21-3/h4-9,16H,17H2,1-3H3
InChIKeyWZGHVJCFOUVNHH-UHFFFAOYSA-N
XLogP3.27
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.27
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

(3-chlorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825064
(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825087
(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193845
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene
CID 152649454
(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
CID 114028288
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-methyl-4-nitrophenyl)ethane-1,2-diamine
CID 78868561
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825492
1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825094
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine (CID 43825081) is (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cc([N+](=O)[O-])cc(C)c2C)c1.
What is the InChIKey of (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine?
The InChIKey is WZGHVJCFOUVNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-7-13(18(19)20)9-15(11(10)2)16(17)12-5-4-6-14(8-12)21-3/h4-9,16H,17H2,1-3H3.
What are the key properties of (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine?
(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine has a molecular weight of 286.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 43825081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).