N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine

C17H27NO — CID 91335967

IUPACN-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine
SMILESC=Cc1cccc(OCCCN(CC)C(C)(C)C)c1
InChIInChI=1S/C17H27NO/c1-6-15-10-8-11-16(14-15)19-13-9-12-18(7-2)17(3,4)5/h6,8,10-11,14H,1,7,9,12-13H2,2-5H3
InChIKeyGCYNIGBBPVUCET-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.22
Rot. Bonds7

About N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine

N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine (PubChem CID 91335967) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine
PubChem CID91335967
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine
SMILESC=Cc1cccc(OCCCN(CC)C(C)(C)C)c1
InChIInChI=1S/C17H27NO/c1-6-15-10-8-11-16(14-15)19-13-9-12-18(7-2)17(3,4)5/h6,8,10-11,14H,1,7,9,12-13H2,2-5H3
InChIKeyGCYNIGBBPVUCET-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.22
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

4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
1-ethenyl-3-ethoxybenzene
CID 11672687
1-ethenyl-3-pentoxybenzene;N-ethylethanamine
CID 68645274
3-(3-ethenylphenoxy)propyl-dimethoxy-methylsilane
CID 19006582
3-(3-ethenylphenoxy)propyl-ethoxy-dimethylsilane
CID 19006567
1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene
CID 161207949
3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine
CID 168529091
butyl-[[3-(3-ethenylphenoxy)propyl-dimethylsilyl]methoxy]-dimethylsilane
CID 174111811
1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
CID 176891275
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671
(3-ethenylphenoxy)-diethyl-methylsilane
CID 18676753
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine?
The IUPAC name of N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine (CID 91335967) is N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine is C=Cc1cccc(OCCCN(CC)C(C)(C)C)c1.
What is the InChIKey of N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine?
The InChIKey is GCYNIGBBPVUCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-15-10-8-11-16(14-15)19-13-9-12-18(7-2)17(3,4)5/h6,8,10-11,14H,1,7,9,12-13H2,2-5H3.
What are the key properties of N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine?
N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine is sourced from PubChem (CID 91335967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).