4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline

C19H24N2O3 — CID 154621296

IUPAC4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline
SMILESCCCC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O3/c1-4-5-15(2)20(17-10-12-19(24-3)13-11-17)14-16-6-8-18(9-7-16)21(22)23/h6-13,15H,4-5,14H2,1-3H3
InChIKeyYOZXLBJBJXTNIO-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.80
Rot. Bonds8

About 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline

4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline (PubChem CID 154621296) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline
PubChem CID154621296
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline
SMILESCCCC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O3/c1-4-5-15(2)20(17-10-12-19(24-3)13-11-17)14-16-6-8-18(9-7-16)21(22)23/h6-13,15H,4-5,14H2,1-3H3
InChIKeyYOZXLBJBJXTNIO-UHFFFAOYSA-N
XLogP4.80
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(4-nitrophenyl)methyl]-N-propan-2-ylaniline
CID 154621314
butane;ethane;N-ethyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline;propane
CID 142550072
N-butyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347461
N-hexyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347503
3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
CID 154621282
N-butan-2-yl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 154621202
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]benzoic acid
CID 23850978
N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 43297287
(1R)-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 81367242
N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
CID 154621165

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline?
The IUPAC name of 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline (CID 154621296) is 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline.
What is the SMILES notation for 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline?
The canonical SMILES for 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline is CCCC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline?
The InChIKey is YOZXLBJBJXTNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-5-15(2)20(17-10-12-19(24-3)13-11-17)14-16-6-8-18(9-7-16)21(22)23/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline?
4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline has a molecular weight of 328.41 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline is sourced from PubChem (CID 154621296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).