N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine

C16H25NO — CID 118177639

IUPACN-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
SMILESC=Cc1ccc(COCCN(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-14-7-9-15(10-8-14)13-18-12-11-17(5)16(2,3)4/h6-10H,1,11-13H2,2-5H3
InChIKeyVZSJGAUCIHWYOM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds6

About N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine

N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine (PubChem CID 118177639) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
PubChem CID118177639
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
SMILESC=Cc1ccc(COCCN(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-14-7-9-15(10-8-14)13-18-12-11-17(5)16(2,3)4/h6-10H,1,11-13H2,2-5H3
InChIKeyVZSJGAUCIHWYOM-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
CID 58592129
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
2-[(4-ethenylphenyl)methoxy]ethyl-dimethoxysilane
CID 154323756
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine (CID 118177639) is N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine is C=Cc1ccc(COCCN(C)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine?
The InChIKey is VZSJGAUCIHWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-14-7-9-15(10-8-14)13-18-12-11-17(5)16(2,3)4/h6-10H,1,11-13H2,2-5H3.
What are the key properties of N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine?
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 118177639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).