N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine

C14H24N2O3Si — CID 177253709

IUPACN-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine
SMILESCc1cc([N+](=O)[O-])ccc1CNCCOC[Si](C)(C)C
InChIInChI=1S/C14H24N2O3Si/c1-12-9-14(16(17)18)6-5-13(12)10-15-7-8-19-11-20(2,3)4/h5-6,9,15H,7-8,10-11H2,1-4H3
InChIKeySIWYFBKJVTWONQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.89
Rot. Bonds8

About N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine

N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine (PubChem CID 177253709) has the molecular formula C14H24N2O3Si and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine
PubChem CID177253709
Molecular FormulaC14H24N2O3Si
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine
SMILESCc1cc([N+](=O)[O-])ccc1CNCCOC[Si](C)(C)C
InChIInChI=1S/C14H24N2O3Si/c1-12-9-14(16(17)18)6-5-13(12)10-15-7-8-19-11-20(2,3)4/h5-6,9,15H,7-8,10-11H2,1-4H3
InChIKeySIWYFBKJVTWONQ-UHFFFAOYSA-N
XLogP2.89
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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

N-[(2-chloro-4-nitrophenyl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103080782
1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine
CID 171624275
(2-methyl-4-nitrophenyl)methylcarbamic acid
CID 143383996
2-[(2-methoxyethylamino)methyl]-5-nitroaniline
CID 68706277
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 114699646
1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
CID 64973951
methyl 2-(2-methyl-4-nitrophenyl)acetate
CID 10081813
N-[(2,4-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875777
2-but-3-enoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 106401992
N-[(2-bromo-4-nitrophenyl)methyl]propan-1-amine
CID 60790578
N-[2-[(2-chloro-4-nitrophenyl)methoxy]ethyl]propan-1-amine
CID 62337246

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine?
The IUPAC name of N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine (CID 177253709) is N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine.
What is the SMILES notation for N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine?
The canonical SMILES for N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine is Cc1cc([N+](=O)[O-])ccc1CNCCOC[Si](C)(C)C.
What is the InChIKey of N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine?
The InChIKey is SIWYFBKJVTWONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3Si/c1-12-9-14(16(17)18)6-5-13(12)10-15-7-8-19-11-20(2,3)4/h5-6,9,15H,7-8,10-11H2,1-4H3.
What are the key properties of N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine?
N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine is sourced from PubChem (CID 177253709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).