ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline

C15H27NO — CID 153334759

IUPACethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
SMILESCC.CCCc1cc(C)ccc1NCCOC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-12-10-11(2)6-7-13(12)14-8-9-15-3;1-2/h6-7,10,14H,4-5,8-9H2,1-3H3;1-2H3
InChIKeyYNRJJWQCJPUFHM-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.03
Rot. Bonds6

About ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline

ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline (PubChem CID 153334759) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
PubChem CID153334759
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
SMILESCC.CCCc1cc(C)ccc1NCCOC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-12-10-11(2)6-7-13(12)14-8-9-15-3;1-2/h6-7,10,14H,4-5,8-9H2,1-3H3;1-2H3
InChIKeyYNRJJWQCJPUFHM-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline
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N,2-diethyl-4-methylaniline
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N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095
2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile
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1-methyl-3-(4-methyl-2-propylphenyl)urea
CID 151994223
2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline
CID 114889645
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-methylaniline
CID 67935328
5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
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ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
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ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
CID 143562507

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline?
The IUPAC name of ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline (CID 153334759) is ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline?
The canonical SMILES for ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline is CC.CCCc1cc(C)ccc1NCCOC.
What is the InChIKey of ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline?
The InChIKey is YNRJJWQCJPUFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-4-5-12-10-11(2)6-7-13(12)14-8-9-15-3;1-2/h6-7,10,14H,4-5,8-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline?
ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline has a molecular weight of 237.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline is sourced from PubChem (CID 153334759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).