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

C16H27NO3 — CID 43734097

IUPAC4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOCCOc1ccc(NC(C)CC(C)(C)OC)cc1
InChIInChI=1S/C16H27NO3/c1-13(12-16(2,3)19-5)17-14-6-8-15(9-7-14)20-11-10-18-4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyGOROIGKLWIYCOK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.33
Rot. Bonds9

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

4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline (PubChem CID 43734097) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
PubChem CID43734097
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOCCOc1ccc(NC(C)CC(C)(C)OC)cc1
InChIInChI=1S/C16H27NO3/c1-13(12-16(2,3)19-5)17-14-6-8-15(9-7-14)20-11-10-18-4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyGOROIGKLWIYCOK-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine
CID 103388752
4-(2-methoxyethoxy)-N-pentan-2-ylaniline
CID 43734198
N-(1,1-difluoropropan-2-yl)-4-(2-methoxyethoxy)aniline
CID 102868863
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
N-butan-2-yl-4-propoxyaniline
CID 21311789
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The IUPAC name of 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline (CID 43734097) is 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline is COCCOc1ccc(NC(C)CC(C)(C)OC)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The InChIKey is GOROIGKLWIYCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(12-16(2,3)19-5)17-14-6-8-15(9-7-14)20-11-10-18-4/h6-9,13,17H,10-12H2,1-5H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
4-(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 4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43734097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).