3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine

C24H33NO2 — CID 67859793

IUPAC3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc(/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C24H33NO2/c1-4-16-25(17-5-2)18-7-19-27-23-14-12-21(13-15-23)10-11-22-8-6-9-24(20-22)26-3/h6,8-15,20H,4-5,7,16-19H2,1-3H3/b11-10+
InChIKeyQPPPQEFEUHEMBN-ZHACJKMWSA-N
MW367.53 g/mol
LogP5.76
Rot. Bonds12

About 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine

3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine (PubChem CID 67859793) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine
PubChem CID67859793
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc(/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C24H33NO2/c1-4-16-25(17-5-2)18-7-19-27-23-14-12-21(13-15-23)10-11-22-8-6-9-24(20-22)26-3/h6,8-15,20H,4-5,7,16-19H2,1-3H3/b11-10+
InChIKeyQPPPQEFEUHEMBN-ZHACJKMWSA-N
XLogP5.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
1-[4-(4-bromobutoxy)phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 168866675
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
[3-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-(4-tetradecoxyphenyl)prop-2-enoate
CID 102308662
3-butoxybenzaldehyde;ethane
CID 91380350
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
1,5-bis(3-butoxyphenyl)penta-1,4-dien-3-one
CID 77385934
3-[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20987008

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine (CID 67859793) is 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOc1ccc(/C=C/c2cccc(OC)c2)cc1.
What is the InChIKey of 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine?
The InChIKey is QPPPQEFEUHEMBN-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H33NO2/c1-4-16-25(17-5-2)18-7-19-27-23-14-12-21(13-15-23)10-11-22-8-6-9-24(20-22)26-3/h6,8-15,20H,4-5,7,16-19H2,1-3H3/b11-10+.
What are the key properties of 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine?
3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine has a molecular weight of 367.53 g/mol, XLogP of 5.76, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 67859793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).