3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline

C16H27NO3 — CID 60935267

IUPAC3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOCCOc1cccc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C16H27NO3/c1-13(12-16(2,3)19-5)17-14-7-6-8-15(11-14)20-10-9-18-4/h6-8,11,13,17H,9-10,12H2,1-5H3
InChIKeyRNWPYQRJAFDZMA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.33
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline

3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline (PubChem CID 60935267) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
PubChem CID60935267
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOCCOc1cccc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C16H27NO3/c1-13(12-16(2,3)19-5)17-14-7-6-8-15(11-14)20-10-9-18-4/h6-8,11,13,17H,9-10,12H2,1-5H3
InChIKeyRNWPYQRJAFDZMA-UHFFFAOYSA-N
XLogP3.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
CID 115695260
N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
CID 60935769
N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
CID 43147236
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline (CID 60935267) is 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline is COCCOc1cccc(NC(C)CC(C)(C)OC)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The InChIKey is RNWPYQRJAFDZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(12-16(2,3)19-5)17-14-7-6-8-15(11-14)20-10-9-18-4/h6-8,11,13,17H,9-10,12H2,1-5H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline has a molecular weight of 281.40 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline is sourced from PubChem (CID 60935267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).