4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

C18H23NO2 — CID 34884368

IUPAC4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1ccc(NCc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)13-21-18-8-4-15(5-9-18)12-19-16-6-10-17(20-3)11-7-16/h4-11,14,19H,12-13H2,1-3H3
InChIKeyYFAACGCQIVSVJU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.34
Rot. Bonds7

About 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 34884368) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID34884368
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCOc1ccc(NCc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)13-21-18-8-4-15(5-9-18)12-19-16-6-10-17(20-3)11-7-16/h4-11,14,19H,12-13H2,1-3H3
InChIKeyYFAACGCQIVSVJU-UHFFFAOYSA-N
XLogP4.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
4-heptoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54799736
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
N-[(4-methoxyphenyl)methyl]-4-[(1S)-1-methylsulfonylethyl]aniline
CID 170160231
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (CID 34884368) is 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is COc1ccc(NCc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is YFAACGCQIVSVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)13-21-18-8-4-15(5-9-18)12-19-16-6-10-17(20-3)11-7-16/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 34884368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).