1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine

C25H28ClNO — CID 175021348

IUPAC1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine
SMILESCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.CN
InChIInChI=1S/C24H23ClO.CH5N/c1-2-26-22-15-13-21(14-16-22)24(20-11-7-4-8-12-20)23(17-18-25)19-9-5-3-6-10-19;1-2/h3-16H,2,17-18H2,1H3;2H2,1H3
InChIKeyGOFUFOVGQNFQLV-UHFFFAOYSA-N
MW393.96 g/mol
LogP6.25
Rot. Bonds7

About 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine

1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine (PubChem CID 175021348) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine.

Molecular Properties

Compound Name1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine
PubChem CID175021348
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine
SMILESCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.CN
InChIInChI=1S/C24H23ClO.CH5N/c1-2-26-22-15-13-21(14-16-22)24(20-11-7-4-8-12-20)23(17-18-25)19-9-5-3-6-10-19;1-2/h3-16H,2,17-18H2,1H3;2H2,1H3
InChIKeyGOFUFOVGQNFQLV-UHFFFAOYSA-N
XLogP6.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 6536897
1-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]-4-ethoxybenzene;4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenol;ethane;propane;bis(yttrium)
CID 159007370
4-[1-[4-(2-aminoethoxy)phenyl]-4-chloro-1-phenylbut-1-en-2-yl]phenol
CID 165015784
4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenol;2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol;propan-1-ol
CID 161238047
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethyl 2,2-dimethylpropanoate
CID 90102187
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
4-[(E)-4-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 177495982
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine formate
CID 131723672
2-[2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164671924
2-[4-[(Z)-4-chloro-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine oxide
CID 169436342
4-[(E)-4-chloro-1-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-1-en-2-yl]phenol
CID 22504567
[4-[4-chloro-1-[4-(2-oxoethoxy)phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 123937919

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine?
The IUPAC name of 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine (CID 175021348) is 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine.
What is the SMILES notation for 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine?
The canonical SMILES for 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine is CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.CN.
What is the InChIKey of 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine?
The InChIKey is GOFUFOVGQNFQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO.CH5N/c1-2-26-22-15-13-21(14-16-22)24(20-11-7-4-8-12-20)23(17-18-25)19-9-5-3-6-10-19;1-2/h3-16H,2,17-18H2,1H3;2H2,1H3.
What are the key properties of 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine?
1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine has a molecular weight of 393.96 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine is sourced from PubChem (CID 175021348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).