formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline

C17H22N2O2 — CID 144783373

IUPACformamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2cccc(C)c2)cc1.NC=O
InChIInChI=1S/C16H19NO.CH3NO/c1-13-6-8-16(9-7-13)18-11-10-17-15-5-3-4-14(2)12-15;2-1-3/h3-9,12,17H,10-11H2,1-2H3;1H,(H2,2,3)
InChIKeyJYOMJQBOYWDRLJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.90
Rot. Bonds5

About formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline

formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 144783373) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Nameformamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID144783373
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameformamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2cccc(C)c2)cc1.NC=O
InChIInChI=1S/C16H19NO.CH3NO/c1-13-6-8-16(9-7-13)18-11-10-17-15-5-3-4-14(2)12-15;2-1-3/h3-9,12,17H,10-11H2,1-2H3;1H,(H2,2,3)
InChIKeyJYOMJQBOYWDRLJ-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
N-[2-(4-bromo-3-methylphenoxy)ethyl]-3-methylaniline
CID 83140916
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-3-methylaniline
CID 63517337
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
CID 63505257
N-(4-hexoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806257
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
3-chloro-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096501
3-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 82096040

Frequently Asked Questions

What is the IUPAC name of formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline (CID 144783373) is formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline is Cc1ccc(OCCNc2cccc(C)c2)cc1.NC=O.
What is the InChIKey of formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is JYOMJQBOYWDRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.CH3NO/c1-13-6-8-16(9-7-13)18-11-10-17-15-5-3-4-14(2)12-15;2-1-3/h3-9,12,17H,10-11H2,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 286.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 144783373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).