4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine

C18H29NO — CID 68645781

IUPAC4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
SMILESC=Cc1cccc(OCCCCN(CCC)CCC)c1
InChIInChI=1S/C18H29NO/c1-4-12-19(13-5-2)14-7-8-15-20-18-11-9-10-17(6-3)16-18/h6,9-11,16H,3-5,7-8,12-15H2,1-2H3
InChIKeyOKJYMHZYHSBKJG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.61
Rot. Bonds11

About 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine

4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine (PubChem CID 68645781) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
PubChem CID68645781
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
SMILESC=Cc1cccc(OCCCCN(CCC)CCC)c1
InChIInChI=1S/C18H29NO/c1-4-12-19(13-5-2)14-7-8-15-20-18-11-9-10-17(6-3)16-18/h6,9-11,16H,3-5,7-8,12-15H2,1-2H3
InChIKeyOKJYMHZYHSBKJG-UHFFFAOYSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.61
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

1-ethenyl-3-pentoxybenzene;N-ethylethanamine
CID 68645274
N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine
CID 91335967
1-ethenyl-3-ethoxybenzene
CID 11672687
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-ethenylphenoxy)propyl-ethoxy-dimethylsilane
CID 19006567
3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine
CID 67859793
10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine
CID 21281290
butyl-[[3-(3-ethenylphenoxy)propyl-dimethylsilyl]methoxy]-dimethylsilane
CID 174111811
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
CID 66742904
3-(3-ethenylphenoxy)propyl-dimethoxy-methylsilane
CID 19006582
4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine
CID 2267298
3-butoxybenzaldehyde;ethane
CID 91380350

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine?
The IUPAC name of 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine (CID 68645781) is 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine?
The canonical SMILES for 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine is C=Cc1cccc(OCCCCN(CCC)CCC)c1.
What is the InChIKey of 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine?
The InChIKey is OKJYMHZYHSBKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-12-19(13-5-2)14-7-8-15-20-18-11-9-10-17(6-3)16-18/h6,9-11,16H,3-5,7-8,12-15H2,1-2H3.
What are the key properties of 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine?
4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 68645781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).