N-benzyl-2-(2-methoxyethoxy)-4-methylaniline

C17H21NO2 — CID 60935556

IUPACN-benzyl-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-14-8-9-16(17(12-14)20-11-10-19-2)18-13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeySFACWMRTYORTSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.63
Rot. Bonds7

About N-benzyl-2-(2-methoxyethoxy)-4-methylaniline

N-benzyl-2-(2-methoxyethoxy)-4-methylaniline (PubChem CID 60935556) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-benzyl-2-(2-methoxyethoxy)-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-2-(2-methoxyethoxy)-4-methylaniline
PubChem CID60935556
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-benzyl-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-14-8-9-16(17(12-14)20-11-10-19-2)18-13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeySFACWMRTYORTSH-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 60935301
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
CID 63951891
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095
N-benzyl-2-bromo-4-methylaniline
CID 11242845
N-benzyl-4-[4-(benzylamino)-3-ethoxyphenyl]-2-ethoxyaniline
CID 71722373
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methoxyethoxy)-4-methylaniline?
The IUPAC name of N-benzyl-2-(2-methoxyethoxy)-4-methylaniline (CID 60935556) is N-benzyl-2-(2-methoxyethoxy)-4-methylaniline.
What is the SMILES notation for N-benzyl-2-(2-methoxyethoxy)-4-methylaniline?
The canonical SMILES for N-benzyl-2-(2-methoxyethoxy)-4-methylaniline is COCCOc1cc(C)ccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-methoxyethoxy)-4-methylaniline?
The InChIKey is SFACWMRTYORTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14-8-9-16(17(12-14)20-11-10-19-2)18-13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of N-benzyl-2-(2-methoxyethoxy)-4-methylaniline?
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline has a molecular weight of 271.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methoxyethoxy)-4-methylaniline is sourced from PubChem (CID 60935556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).